SCHEMBL16670214

SCHEMBL16670214

C=C(C)C=CC(C(=O)O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
TP53 P04637 1/20 0.31
TGFBR1 P36897 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16670213 1.00 SLC7A5 (0.36) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL16674847 1.00 SLC7A5 (0.36) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL18539505 0.84
SCHEMBL6899891 0.78 TP53 (0.42) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL6899896 0.78 TP53 (0.42) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL18537807 0.78 SMN1; SMN2 (0.38)
SCHEMBL404956 0.76 GABRP (0.38) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL28127347 0.75 ALDH1A1 (0.35)
SCHEMBL11574314 0.75 TGFBR1 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18537809 0.74 TSHR (0.47)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467464-B (E) -2-isopropyl-5-methyl-3, 5-hexadienoic acid ester compound and production method and application thereof 信越化学工业株式会社 2020-12-29 CN claimed
EP-3133053-B1 (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHINETSU CHEMICAL CO (JP) 2018-01-17 EP claimed
US-9725400-B2 (E)-2-isopropyl-5-methyl-3,5-hexadienoate compound, method for producing the same, and methods for producing (E)-2-isopropyl-5-methyl-3,5-hexadienol and (E)-2-isopropyl-5-methyl-3,5-hexadienyl carboxylate by using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-08 US claimed
US-20170050913-A1 (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-23 US claimed
EP-3133053-A1 (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2017-02-22 EP claimed
CN-106467464-B (E) -2-isopropyl-5-methyl-3, 5-hexadienoic acid ester compound and production method and application thereof 信越化学工业株式会社 2020-12-29 CN disclosed
EP-3133053-B1 (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHINETSU CHEMICAL CO (JP) 2018-01-17 EP disclosed
US-9725400-B2 (E)-2-isopropyl-5-methyl-3,5-hexadienoate compound, method for producing the same, and methods for producing (E)-2-isopropyl-5-methyl-3,5-hexadienol and (E)-2-isopropyl-5-methyl-3,5-hexadienyl carboxylate by using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-08 US disclosed
US-9725400-B2 (E)-2-isopropyl-5-methyl-3,5-hexadienoate compound, method for producing the same, and methods for producing (E)-2-isopropyl-5-methyl-3,5-hexadienol and (E)-2-isopropyl-5-methyl-3,5-hexadienyl carboxylate by using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-08 US disclosed
US-9725400-B2 (E)-2-isopropyl-5-methyl-3,5-hexadienoate compound, method for producing the same, and methods for producing (E)-2-isopropyl-5-methyl-3,5-hexadienol and (E)-2-isopropyl-5-methyl-3,5-hexadienyl carboxylate by using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-08 US disclosed
EP-2868647-B1 Method for producing (E)-2-isopropyl-5-methyl-2,4-hexadienyl acetate SHINETSU CHEMICAL CO (JP) 2017-07-12 EP disclosed
CN-106467464-A (E) 2 isopropyl 5 methyl 3,5 hexadienoic acid ester compounds and its production method and produce (E) 2 isopropyl 5 methyl 3 using it, 5 hexadienols and the method for (E) 2 isopropyl 5 methyl 3,5 hexadienyl carboxylate 信越化学工业株式会社 2017-03-01 CN disclosed
US-20170050913-A1 (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-23 US disclosed
US-20170050913-A1 (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-23 US disclosed
EP-3133053-A1 (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2017-02-22 EP disclosed
EP-3133053-A1 (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2017-02-22 EP disclosed
US-9126923-B2 Method for producing (E)-2-isopropyl-5-methyl-2,4-hexadienyl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-09-08 US disclosed
EP-2868647-A1 Method for producing (E)-2-isopropyl-5-methyl-2,4-hexadienyl acetate Shin-Etsu Chemical Co., Ltd. (JP) 2015-05-06 EP disclosed
US-20150119598-A1 METHOD FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-2,4-HEXADIENYL ACETATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150119598-A1 METHOD FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-2,4-HEXADIENYL ACETATE EBP, ELOVL5, ELOVL3 SLC7A5 4654/4885GABRP 2281/4885GABRD 1201/4885
US-20170050913-A1 (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHBG, GNE, PGRMC2 SLC7A5 3945/4885GABRP 727/4885GABRD 959/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.