SCHEMBL1336331

SCHEMBL1336331

N#Cc1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRG P48443 1/20 0.45
KIF11 P52732 2/20 0.44
XDH P47989 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.41
TTR P02766 2/20 0.39
ALB P02768 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTGS1 P23219 1/20 0.36
AR P10275 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35

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
SCHEMBL30994286 1.00 RXRA (0.45) RXRARXRGKIF11XDHTAS2R14
SCHEMBL29320291 0.85 RXRA (0.55) RXRARXRGKIF11XDHTAS2R14
SCHEMBL25983036 0.84 KIF11 (0.52) RXRARXRGKIF11XDHTAS2R14
SCHEMBL1334073 0.84 KIF11 (0.52) RXRARXRGKIF11XDHTAS2R14
Cyanate SCHEMBL30681205 0.80 CES2 (0.43) KIF11TMPRSS4CES2PTGS1AR
Water SCHEMBL21493255 0.79 GABRA1 (0.50) RXRARXRGKIF11CES2PTGS1
SCHEMBL3508773 0.79 GABRA1 (0.60) KIF11TTRALBMEN1KMT2A
SCHEMBL29837993 0.77 KIF11 (0.45) RXRARXRGKIF11XDHTAS2R14
SCHEMBL628008 0.77 KIF11 (0.45) RXRARXRGKIF11XDHTAS2R14
SCHEMBL186842 0.77 GABRA1 (0.52) RXRARXRGKIF11CES2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4656635-A1 SUBSTITUTED BENZENE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-12-03 EP disclosed
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
US-20240300965-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-12 US disclosed
US-12054484-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2024-08-06 US disclosed
WO-2024157953-A1 SUBSTITUTED BENZENE COMPOUND 第一三共株式会社 2024-08-02 WO disclosed
US-11999746-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-04 US disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 WO disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 US disclosed
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (7 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-12054484-B2 Substituted tetrahydropyrans as CCR2 modulators CCR2, CCR1, CCR5 RXRA 393/4885RXRG 357/4885KIF11 3543/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 RXRA 805/4885RXRG 887/4885KIF11 4693/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 RXRA 2968/4885RXRG 3163/4885KIF11 4060/4885
US-20240300965-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B RXRA 2659/4885RXRG 2355/4885KIF11 4652/4885
US-11999746-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B RXRA 2659/4885RXRG 2355/4885KIF11 4652/4885
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 RXRA 407/4885RXRG 373/4885KIF11 3364/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 RXRA 55/4885RXRG 85/4885KIF11 2980/4885

“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.