SCHEMBL112191

SCHEMBL112191

C=C(c1cccc(Cl)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC6A2 P23975 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
ITGA5 P08648 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL28013821 0.85 CES1 (0.39) MAPT
SCHEMBL112183 0.79 TPMT (0.41) TSHRGAACYP2C19KMT2ARAB9A
SCHEMBL27757220 0.78 CES1 (0.52) PARP1HTTSMN1; SMN2KMT2ARAB9A
SCHEMBL24738862 0.77 PARP1 (0.52) PARP1TSHRALDH1A1HTTMAPT
SCHEMBL1794480 0.76 PARP1 (0.56) PARP1TSHRALDH1A1HTTMAPT
SCHEMBL29791495 0.76 ACHE (0.58) PARP1ALDH1A1HTTMAPTLMNA
SCHEMBL116615 0.76 C1S (0.47) PARP1ALDH1A1HTTMAPTLMNA
SCHEMBL111125 0.76 ACHE (0.58) PARP1ALDH1A1HTTMAPTLMNA
SCHEMBL30461157 0.76 CES2 (0.60) TSHRALDH1A1MAPTLMNAKMT2A
SCHEMBL32000 0.76 CES2 (0.60) TSHRALDH1A1MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651191-B Difluoromethyl oxime ether derivative and synthetic method thereof 华南理工大学 2021-11-19 CN disclosed
US-20190144469-A1 METHOD FOR PREPARING DIFLUOROALLYLBORONATE AND APPLICATION THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2019-05-16 US disclosed
CN-109651191-A A kind of difluoromethyl oxime ether derivatives and its synthetic method 华南理工大学 2019-04-19 CN disclosed
CN-104277032-B PESTICIDAL (HETERO) ARYLPYRROLIDINES 拜耳作物科学公司 2017-04-12 CN disclosed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
CN-102639529-B Isoxazoline derivative-based pesticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-08-19 CN disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
CN-101652354-A insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG DE 2010-02-17 CN disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
CN-101522672-A Insecticidal isoxazolines BAYER CROPSCIENCE AG (DE) 2009-09-02 CN disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 WO disclosed
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
CN-101351456-A Isoxazolines for controlling invertebrate pests DU PONT (US) 2009-01-21 CN disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 WO disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 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 (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-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 PARP1 4359/4885TSHR 846/4885ALDH1A1 261/4885
US-20190144469-A1 METHOD FOR PREPARING DIFLUOROALLYLBORONATE AND APPLICATION THEREOF GABRA6, GABRP, GABBR2 PARP1 4025/4885TSHR 455/4885ALDH1A1 1498/4885

“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.