SCHEMBL8660355

SCHEMBL8660355

CCCCCC(=O)CCC(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
POLA1 P09884 1/20 0.52
CA12 O43570 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
HAO1 Q9UJM8 1/20 0.48
KDM5A P29375 2/20 0.47
DGKA P23743 1/20 0.47
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
HTR2C P28335 1/20 0.46
AKR1B1 P15121 1/20 0.44

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
SCHEMBL2139723 0.98 MAPT (0.57) TSHRMAPTKMT2ALMNAKDM4E
SCHEMBL29009729 0.98 MAPT (0.57) TSHRMAPTKMT2ALMNAKDM4E
SCHEMBL8659416 0.98 MAPT (0.57) TSHRMAPTKMT2ALMNAKDM4E
SCHEMBL6862564 0.93 TSHR (0.59) TSHRMAPTKMT2ALMNAKDM4E
SCHEMBL7112187 0.91 MAPT (0.59) TSHRMAPTKMT2ALMNAPOLB
SCHEMBL19816815 0.91 MAPT (0.59) TSHRMAPTKMT2ALMNAPOLB
SCHEMBL20637044 0.91 MAPT (0.59) TSHRMAPTKMT2ALMNAPOLB
SCHEMBL40101 0.91 MAPT (0.59) TSHRMAPTKMT2ALMNAPOLB
SCHEMBL3033282 0.91 MAPT (0.59) TSHRMAPTKMT2ALMNAPOLB
SCHEMBL3621835 0.91 MAPT (0.59) TSHRMAPTKMT2ALMNAPOLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869348-B Pyrrole compound, perfume composition, and cosmetic containing the same 长谷川香料株式会社 2023-09-12 CN disclosed
CN-116098279-A Matcha flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
CN-116103086-A Tea flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
CN-111454998-B Biological preparation method of chiral hydroxy acid ester 黄山科宏生物香料股份有限公司 2023-05-02 CN disclosed
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same T. HASEGAWA CO., LTD. (JP) 2022-05-17 US disclosed
CN-111454998-A Biological preparation method of chiral hydroxy acid ester 黄山科宏生物香料股份有限公司 2020-07-28 CN disclosed
US-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME T. HASEGAWA CO., LTD. (JP) 2020-05-21 US disclosed
EP-0578388-B1 Fermentation process for preparing 10-hydroxy-C18-carboxylic acid and gamma-dodecalactone derivatives INT FLAVORS & FRAGRANCES INC (US) 1998-11-04 EP disclosed
EP-0578388-A2 Fermentation process for preparing 10-hydroxy-C18-carboxylic acid and gamma-dodecalactone derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-01-12 EP 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-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME TAS1R1, TAS2R1, TAS1R2 TSHR 1423/4885MAPT 2294/4885KMT2A 1817/4885
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same TAS2R1, TAS1R1, TAS2R10 TSHR 1742/4885MAPT 2933/4885KMT2A 1621/4885

“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.