SCHEMBL14768649

SCHEMBL14768649

Cc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.37
KDM1A O60341 2/20 0.34
GPR3 P46089 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
AR P10275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL21095946 0.98 PDE9A (0.35) PDE9AKDM1AGPR3ALOX5APFEN1
SCHEMBL15488938 0.95 PDE9A (0.39) PDE9AKDM1AALDH1A1GLAGAA
SCHEMBL21095839 0.93 AR (0.39) PDE9AKDM1AALOX5APFEN1NCOA1
SCHEMBL20813274 0.88 GPR3 (0.32) GPR3ALOX5APFEN1
SCHEMBL14767337 0.86 AR (0.40) KDM1APOLBALDH1A1GLAGAA
SCHEMBL14226556 0.86 GPR3 (0.35) GPR3ALOX5APFEN1
SCHEMBL14681250 0.86 GPR3 (0.35) GPR3ALOX5APFEN1
SCHEMBL12889476 0.86 GPR3 (0.35) GPR3ALOX5APFEN1
SCHEMBL20802456 0.86 GPR3 (0.30) GPR3
SCHEMBL21095848 0.86 KIF11 (0.36) PDE9AKDM1AALOX5APFEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10982149-B2 Chiral compounds MERCK PATENT GMBH (DE) 2021-04-20 US disclosed
US-10450509-B2 Liquid crystal medium and liquid display MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
US-20180223189-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180223189-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-9938464-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-9822305-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-21 US disclosed
US-9809749-B2 Mesogenic compound, liquid-crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9809749-B2 Mesogenic compound, liquid-crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-20170226422-A1 POLYMERISABLE MESOGENIC COMPOUND, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
US-20170002290-A1 ELECTRO-RHEOLOGICAL FLUID AND HAPTIC DEVICE MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-04-28 US disclosed
US-20150247089-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-09-03 US disclosed
US-9120969-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-9120969-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-20150129800-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-05-14 US disclosed
US-20140158934-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
US-20140077130-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-03-20 US disclosed
US-20140077130-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-03-20 US disclosed
US-8659737-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-02-25 US disclosed
WO-2013034219-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-03-14 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 (4 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-10982149-B2 Chiral compounds FANCI, COL1A1, LCP1 PDE9A 1731/4885KDM1A 1596/4885GPR3 2116/4885
US-10450509-B2 Liquid crystal medium and liquid display NEFM, CRY1, BMP2 PDE9A 878/4885KDM1A 4562/4885GPR3 3519/4885
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY BMP2, IK, EML4 PDE9A 2275/4885KDM1A 4243/4885GPR3 3750/4885
US-20150129800-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY CCND2, CFD, CRY1 PDE9A 779/4885KDM1A 4060/4885GPR3 3316/4885

“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.