SCHEMBL963834

SCHEMBL963834

OCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
LTA4H P09960 1/20 0.48
EPHX2 P34913 3/20 0.48
FAAH O00519 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
GRIN2B Q13224 2/20 0.45
SLC6A4 P31645 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
EPHX1 P07099 1/20 0.44
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43
DAO P14920 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1747062 0.94 LTA4H (0.59) PPARGPPARALTA4HEPHX2FAAH
SCHEMBL8027367 0.94 PPARA (0.49) PPARGPPARALTA4HEPHX2FAAH
SCHEMBL508667 0.94 SLC6A4 (0.49) PPARGPPARALTA4HEPHX2FAAH
SCHEMBL507848 0.89 PPARG (0.45) PPARGPPARALTA4HEPHX2FAAH
SCHEMBL507847 0.89 PPARG (0.45) PPARGPPARALTA4HEPHX2FAAH
SCHEMBL5452795 0.89 MAPT (0.51) PPARGPPARAEPHX2FAAHALDH1A1
SCHEMBL29572262 0.86 PPARG (0.42) PPARGPPARAEPHX2FAAHALDH1A1
SCHEMBL5703597 0.83 MEN1 (0.50) PPARGPPARAEPHX2FAAHMAPT
SCHEMBL700042 0.83 PPARA (0.56) PPARALTA4HEPHX2ALDH1A1TSHR
SCHEMBL934447 0.83 PPARA (0.59) PPARGPPARALTA4HEPHX2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116555080-A Preparation method of hybrid ester compound containing oxazole ring 上海交通大学医学院附属仁济医院 2023-08-08 CN claimed
CN-112341546-B Preparation method of fluorinated biomass membrane material 北京化工大学 2022-07-05 CN claimed
CN-112341546-A Preparation method of fluorinated biomass membrane material 北京化工大学 2021-02-09 CN claimed
CN-108752287-A The preparation method and purposes of heterocycle tertiary alcohol derivative 南开大学 2018-11-06 CN claimed
CN-104263430-B M30 methanol gasoline additive SHANGHAI DELIAN CHEMICAL CO., LTD. (CN) 2015-12-09 CN claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
CN-103865595-B M20 methanol gasoline power performance improver GANSU SANGTIAN CLEANING ENERGY DEV CO LTD 2015-06-17 CN claimed
CN-104263430-A M30 methanol gasoline additive WANG WEI 2015-01-07 CN claimed
CN-103865595-A M20 methanol gasoline power performance improver GANSU SANGTIAN CLEANING ENERGY DEV CO LTD 2014-06-18 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed

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-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP PPARG 1274/4885PPARA 953/4885LTA4H 1197/4885

“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.