SCHEMBL536996

SCHEMBL536996

FC(F)(F)[C](c1ccccc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.56
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CES2 O00748 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
F2 P00734 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL10808879 0.77 CES1 (0.56) CES1TSHRALDH1A1CES2DAO
SCHEMBL4630453 0.77 CES1 (0.56) CES1TSHRALDH1A1CES2DAO
SCHEMBL2457389 0.74 CES1 (0.61) CES1TSHRALDH1A1CES2DAO
Benzene SCHEMBL27672585 0.72 CES1 (1.00) CES1TSHRALDH1A1CES2DAO
SCHEMBL11359248 0.72 MASP2 (0.44) TSHRALDH1A1F2CYP3A4MAPT
SCHEMBL14276747 0.72 CES1 (0.52) CES1TSHRALDH1A1CES2DAO
SCHEMBL9044166 0.72 CES1 (0.52) CES1TSHRALDH1A1CES2DAO
SCHEMBL2461038 0.72 CES1 (0.52) CES1TSHRALDH1A1CES2DAO
SCHEMBL32009 0.72 CES1 (0.52) CES1TSHRALDH1A1CES2DAO
SCHEMBL33083 0.72 CES1 (1.00) CES1TSHRALDH1A1CES2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779911-B2 Production of fatty olefin derivatives via olefin metathesis PROVIVI, INC. (US) 2023-10-10 US claimed
EP-3868802-B1 COPOLYMER AND POSITIVE RESIST COMPOSITION ZEON CORP (JP) 2023-08-30 EP claimed
CN-115215748-A Production of aliphatic olefin derivatives by olefin metathesis 普罗维维公司 2022-10-21 CN claimed
CN-111437633-B Defoaming agent and lubricating oil composition JXTG能源株式会社 2022-03-15 CN claimed
US-20220032280-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS PROVIVI, INC. (US) 2022-02-03 US claimed
EP-3733256-B1 USE OF A DEFOAMING AGENT, DEFOAMING AGENT AND LUBRICATING OIL COMPOSITION CONTAINING SAME JXTG NIPPON OIL & ENERGY CORP (JP) 2021-12-29 EP claimed
CN-109096211-B Preparation method of polysubstituted triazole derivative 华侨大学 2021-11-23 CN claimed
WO-2021080426-A1 PRODUCTION OF AROMATIC ACIDS AND PHENOLICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2021-04-29 WO claimed
EP-3019510-B1 USE OF IMMOBILIZED MOLYBDEN- UND TUNGSTEN-CONTAINING CATALYSTS IN OLEFIN CROSS METATHESIS VERBIO VER BIOENERGIE AG (DE) 2020-12-02 EP claimed
EP-3733256-A1 USE OF A DEFOAMING AGENT, DEFOAMING AGENT AND LUBRICATING OIL COMPOSITION CONTAINING SAME JXTG Nippon Oil & Energy Corporation (JP) 2020-11-04 EP claimed
EP-1194428-B1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS DIMENSIONAL PHARM INC (US) 2003-09-17 EP claimed
US-20030139406-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-07-24 US claimed
WO-2003032981-A1 4-(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES MEMORY PHARMACEUTICALS CORPORATION (US) 2003-04-24 WO claimed
US-6420397-B1 Heteroaryl protease inhibitors and diagnostic imaging agents 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-16 US claimed
EP-1194428-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-10 EP claimed
WO-2001004117-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-18 WO claimed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP claimed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP claimed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 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 (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-20030139406-A1 Phosphodiesterase 4 inhibitors PDE12, PDE4A, PDE5A CES1 238/4885TSHR 2074/4885ALDH1A1 106/4885
US-11779911-B2 Production of fatty olefin derivatives via olefin metathesis SREBF1, F2, SREBF2 CES1 599/4885TSHR 1977/4885ALDH1A1 1913/4885
US-20220032280-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS SREBF1, F2, SREBF2 CES1 599/4885TSHR 1977/4885ALDH1A1 1913/4885

“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.