SCHEMBL2207902

SCHEMBL2207902

CC(C)C/C=C/CCCCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.60
PPARD Q03181 4/20 0.60
PPARA Q07869 4/20 0.60
F7 P08709 4/20 0.60
F3 P13726 4/20 0.60
TERT O14746 3/20 0.60
PTPN1 P18031 3/20 0.60
MAPT P10636 3/20 0.60
BLM P54132 2/20 0.60
HSD17B10 Q99714 2/20 0.60
FABP4 P15090 2/20 0.60
PTGS1 P23219 2/20 0.60
DUSP3 P51452 2/20 0.60
PTPN7 P35236 2/20 0.60
GMNN O75496 1/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
POLB P06746 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL2207906 1.00 PPARG (0.60) PPARGPPARDPPARAF7F3
SCHEMBL11645936 0.98 PPARG (0.63) PPARGPPARDPPARAF7F3
SCHEMBL11645940 0.98 PPARG (0.63) PPARGPPARDPPARAF7F3
SCHEMBL16357053 0.94 PPARG (0.55) PPARGPPARDPPARAF7F3
SCHEMBL26317135 0.94 PPARG (0.55) PPARGPPARDPPARAF7F3
SCHEMBL21083267 0.94 PPARG (0.55) PPARGPPARDPPARAF7F3
SCHEMBL25542656 0.93 ALDH1A1 (0.67) PPARGPPARDPPARAF7F3
SCHEMBL25542651 0.93 ALDH1A1 (0.67) PPARGPPARDPPARAF7F3
SCHEMBL6786331 0.85 PPARG (0.52) PPARGPPARDPPARAF7F3
SCHEMBL6786335 0.85 PPARG (0.52) PPARGPPARDPPARAF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109364-B2 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA 2006-09-19 US claimed
US-8765809-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2014-07-01 US disclosed
US-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2013-02-28 US disclosed
US-8212068-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2012-07-03 US disclosed
US-7981460-B2 Substituted benzyl ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2011-07-19 US disclosed
US-7981460-B2 Substituted benzyl ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2011-07-19 US disclosed
US-7981460-B2 Substituted benzyl ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2011-07-19 US disclosed
US-20090203774-A1 SUBSTITUTED BENZYL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2009-08-13 US disclosed
US-20090203774-A1 SUBSTITUTED BENZYL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2009-08-13 US disclosed
US-20090203774-A1 SUBSTITUTED BENZYL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2009-08-13 US disclosed
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7109364-B2 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA 2006-09-19 US disclosed
EP-1259470-A4 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2005-06-15 EP disclosed
US-20040034242-A1 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA (US) 2004-02-19 US disclosed
EP-1259470-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD Yang, Zhenhua (US) 2002-11-27 EP disclosed
WO-2001059067-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2001-08-16 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 (3 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-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, MEP1B PPARG 3028/4885PPARD 2917/4885PPARA 3190/4885
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, F8 PPARG 3257/4885PPARD 3272/4885PPARA 3435/4885
US-20090203774-A1 SUBSTITUTED BENZYL ESTER DERIVATIVE AND USE THEREOF MEP1B, EBP, MEP1A PPARG 1794/4885PPARD 2190/4885PPARA 2450/4885

“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.