SCHEMBL4184980

SCHEMBL4184980

Oc1ccc(C(F)(F)F)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
HSD17B1 P14061 3/20 0.44
TYR P14679 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD17B3 P37058 1/20 0.43
APP P05067 1/20 0.41
HSD17B2 P37059 2/20 0.41
AR P10275 2/20 0.40
CES2 O00748 2/20 0.39
ALOX5 P09917 1/20 0.38
MAOB P27338 1/20 0.38
CA12 O43570 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
SCHEMBL3022860 0.82 KIF11 (0.52) KIF11HSD17B1TYRALDH1A1NR1I2
SCHEMBL30368360 0.82 KIF11 (0.52) KIF11HSD17B1TYRALDH1A1NR1I2
SCHEMBL5511642 0.80 ALDH1A1 (0.60) KIF11HSD17B1TYRALDH1A1NR1I2
SCHEMBL30595362 0.80 ALDH1A1 (0.60) KIF11HSD17B1TYRALDH1A1NR1I2
SCHEMBL2506023 0.79 KCNJ11 (0.47) KIF11TYRALDH1A1NR1I2LMNA
SCHEMBL2001354 0.78 CES2 (0.55) KIF11ALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL29427775 0.78 CA3 (0.52) KIF11HSD17B1ARCES2CA9
SCHEMBL187345 0.78 KIF11 (0.70) KIF11HSD17B3APPAR
SCHEMBL4343525 0.78 CA3 (0.52) KIF11HSD17B1ARCES2CA9
SCHEMBL29689656 0.78 KIF11 (0.70) KIF11HSD17B3APPAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101302163-A Preparation of 2,4-bis (2,6-binitro-4-trifluoromethyl phenoxy) benzotrifluoride UNIV DONGHUA (CN) 2008-11-12 CN claimed
US-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof UNIVERSITY OF MISSISSIPPI 2009-07-30 US disclosed
US-7468445-B2 Antigiardial agents and use thereof UNIVERSITY OF MISSISSIPPI (US) 2008-12-23 US disclosed
CN-101302163-A Preparation of 2,4-bis (2,6-binitro-4-trifluoromethyl phenoxy) benzotrifluoride UNIV DONGHUA (CN) 2008-11-12 CN disclosed
CN-101302163-A Preparation of 2,4-bis (2,6-binitro-4-trifluoromethyl phenoxy) benzotrifluoride UNIV DONGHUA (CN) 2008-11-12 CN disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed
US-20060106091-A1 Antigiardial agents and use thereof THE UNIVERSITY OF MISSISSIPPI 2006-05-18 US disclosed
WO-2004014886-A1 ANTIGIARDIAL AGENTS AND USE THEREOF UNIVERSITY OF MISSISSIPPI (US) 2004-02-19 WO disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 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-20060106091-A1 Antigiardial agents and use thereof GPER1, ENPP2, ALPI KIF11 2340/4885HSD17B1 1438/4885TYR 3219/4885
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof ENPP2, GPER1, ALPI KIF11 2521/4885HSD17B1 1282/4885TYR 3268/4885
US-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C KIF11 3061/4885HSD17B1 2323/4885TYR 3222/4885

“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.