SCHEMBL2009839

SCHEMBL2009839

C=CCOC(=O)CCCC(=C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.62
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ DGKA P23743 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FAAH O00519 1/20 0.32

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
SCHEMBL12944731 0.88 TSHR (0.56) TSHRALDH1A1GAATDP1PKM
SCHEMBL463195 0.88 TSHR (0.70) TSHRALDH1A1GAATDP1PKM
SCHEMBL11131919 0.86 TSHR (0.65) TSHRALDH1A1GAATDP1PKM
SCHEMBL153651 0.83 TSHR (0.77) TSHRALDH1A1GAATDP1PKM
SCHEMBL180289 0.81 TSHR (0.81) TSHRALDH1A1GAATDP1PKM
SCHEMBL3120781 0.81 TSHR (0.81) TSHRALDH1A1GAATDP1PKM
SCHEMBL5392962 0.81 TSHR (0.81) TSHRALDH1A1GAATDP1PKM
SCHEMBL10834721 0.81 TSHR (0.81) TSHRALDH1A1GAATDP1PKM
SCHEMBL11131759 0.81 TSHR (0.74) TSHRALDH1A1GAATDP1PKM
SCHEMBL11795597 0.81 TSHR (0.81) TSHRALDH1A1GAATDP1PKM

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514738-B1 PROCESS FOR THE PREPARATION OF ALKYL 5-METHYL-5-HEXENOATES KURARAY CO (JP) 2017-04-26 — — EP claimed
CN-102652123-B Preparation method of 5-methyl-5-hexenoic acid alkyl ester KURARAY CO 2015-05-13 — — CN claimed
US-8816123-B2 Method for producing alkyl 5-methyl-5-hexenoate KURARAY CO., LTD. (JP) 2014-08-26 — — US claimed
EP-2514738-A1 PROCESS FOR PREPARATION OF ALKYL 5-METHYL-5-HEXENOATES Kuraray Co., Ltd. (JP) 2012-10-24 — — EP claimed
US-20120253062-A1 METHOD FOR PRODUCING ALKYL 5-METHYL-5-HEXENOATE KURARAY CO., LTD. (JP) 2012-10-04 — — US claimed
CN-102652123-A Preparation method of 5-methyl-5-hexenoic acid alkyl ester KURARAY CO 2012-08-29 — — CN claimed
EP-2514738-B1 PROCESS FOR THE PREPARATION OF ALKYL 5-METHYL-5-HEXENOATES KURARAY CO (JP) 2017-04-26 — — EP disclosed
EP-2514738-B1 PROCESS FOR THE PREPARATION OF ALKYL 5-METHYL-5-HEXENOATES KURARAY CO (JP) 2017-04-26 — — EP disclosed
CN-102652123-B Preparation method of 5-methyl-5-hexenoic acid alkyl ester KURARAY CO 2015-05-13 — — CN disclosed
CN-102652123-B Preparation method of 5-methyl-5-hexenoic acid alkyl ester KURARAY CO 2015-05-13 — — CN disclosed
CN-102652123-B Preparation method of 5-methyl-5-hexenoic acid alkyl ester KURARAY CO 2015-05-13 — — CN disclosed
US-8816123-B2 Method for producing alkyl 5-methyl-5-hexenoate KURARAY CO., LTD. (JP) 2014-08-26 — — US disclosed
US-8816123-B2 Method for producing alkyl 5-methyl-5-hexenoate KURARAY CO., LTD. (JP) 2014-08-26 — — US disclosed
US-20120253062-A1 METHOD FOR PRODUCING ALKYL 5-METHYL-5-HEXENOATE KURARAY CO., LTD. (JP) 2012-10-04 — — US disclosed
US-20120253062-A1 METHOD FOR PRODUCING ALKYL 5-METHYL-5-HEXENOATE KURARAY CO., LTD. (JP) 2012-10-04 — — US disclosed
CN-102652123-A Preparation method of 5-methyl-5-hexenoic acid alkyl ester KURARAY CO 2012-08-29 — — CN disclosed
CN-102652123-A Preparation method of 5-methyl-5-hexenoic acid alkyl ester KURARAY CO 2012-08-29 — — CN disclosed
CN-102652123-A Preparation method of 5-methyl-5-hexenoic acid alkyl ester KURARAY CO 2012-08-29 — — CN disclosed
WO-2011074416-A1 PROCESS FOR PREPARATION OF ALKYL 5-METHYL-5-HEXENOATES 株式会社クラレ (JP) 2011-06-23 — — WO disclosed
WO-2011074416-A1 PROCESS FOR PREPARATION OF ALKYL 5-METHYL-5-HEXENOATES 株式会社クラレ (JP) 2011-06-23 — — WO 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 (1 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-20120253062-A1 METHOD FOR PRODUCING ALKYL 5-METHYL-5-HEXENOATE ADH5, ALKBH5, ADH1C TSHR 2378/4885ALDH1A1 198/4885GAA 1406/4885

“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.

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