SCHEMBL1985491

SCHEMBL1985491

C=C(C)COc1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.40
NPSR1 Q6W5P4 5/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 4/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 7/20 0.32
KMT2A Q03164 7/20 0.32
MAPT P10636 4/20 0.32
ALOX12 P18054 2/20 0.32
ALOX15 P16050 3/20 0.32
USP2 O75604 2/20 0.32
TP53 P04637 2/20 0.32
MAPK1 P28482 2/20 0.32
KAT6A Q92794 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL28824339 0.83 GPR174 (0.33) GPR174ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL8894450 0.81 ALDH1A1 (0.30) ALDH1A1HSD17B10KMT2AMAPTTP53
SCHEMBL11850746 0.81 KMT2A (0.39) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL902241 0.76 ALOX15 (0.53) ALDH1A1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL7048126 0.75 HSD11B1 (0.35) ALDH1A1POLBSMN1; SMN2TSHRALOX15
SCHEMBL2565533 0.75 KMT2A (0.40) ALDH1A1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL8749753 0.75 RAB9A (0.54) ALDH1A1KDM4ETSHRMAPTGAA
SCHEMBL1803317 0.74 KDM4E (0.46) NPSR1ALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL526347 0.74
SCHEMBL49802 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP claimed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US claimed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US claimed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
US-3969363-A CARDIOVASCULAR DISORDERS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-07-13 US claimed
CN-113195502-A Macrocyclic influenza endonuclease inhibitors 詹森生物制药有限公司 2021-07-30 CN disclosed
CN-104238266-B Photosensitive resin composition, black matrix, color filter and liquid crystal display 奇美实业股份有限公司 2018-03-27 CN disclosed
US-9751871-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-09-05 US disclosed
CN-106104753-A The duplexer of oxygen plasma etch erosion resistant, etchant resist and use etchant resist DIC株式会社 2016-11-09 CN disclosed
US-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-28 US disclosed
US-9247748-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-02 US disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed
US-4391980-A FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1983-07-05 US disclosed
EP-0007605-B1 A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR CIBA-GEIGY AG (CH) 1982-09-15 EP disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 EP disclosed
US-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-3969363-A CARDIOVASCULAR DISORDERS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-07-13 US 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-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 GPR174 3669/4885NPSR1 1248/4885ALDH1A1 1846/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 GPR174 3669/4885NPSR1 1248/4885ALDH1A1 1846/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 GPR174 3669/4885NPSR1 1248/4885ALDH1A1 1846/4885

“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.