SCHEMBL9336

SCHEMBL9336

CCc1c(F)cc(C)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 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
SCHEMBL23189364 0.87 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4E
SCHEMBL15133742 0.85 AKR1C3 (0.32) ALDH1A1
SCHEMBL21021679 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL91339 0.84 RAPGEF4 (0.33) RAPGEF4TSHR
SCHEMBL19504310 0.80 ACHE (0.45) TAAR1ALDH1A1KDM4E
SCHEMBL19204657 0.80 TAAR1 (0.43) SELLSELPSELERAPGEF4TAAR1
SCHEMBL1547845 0.80 RIPK1 (0.40) RAPGEF4TAAR1ALDH1A1
SCHEMBL26938483 0.79 TAAR1 (0.39) SELLSELPSELENOS3NOS2
SCHEMBL12428890 0.78 SELL (0.33) SELLSELPSELERAPGEF4TAAR1
SCHEMBL15247375 0.78 PTGS2 (0.36) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4269415-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND Modulus Discovery, Inc. (JP) 2023-11-01 EP disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
WO-2020200316-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-10-08 WO disclosed
EP-3167025-B1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-07-18 EP disclosed
EP-2933309-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2018-04-25 EP disclosed
WO-2017193023-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME MELINTA THERAPEUTICS, INC. (US) 2017-11-09 WO disclosed
US-20170305909-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2017-10-26 US disclosed
WO-2017140669-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS SANOFI (FR) 2017-08-24 WO disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed
US-7462297-B2 Chiral dopants having a laterally alkylated phenyl structural element MERCK PATENT GMBH (DE) 2008-12-09 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 (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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SELL 275/4885SELP 365/4885SELE 360/4885
US-20170305909-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 SELL 1227/4885SELP 1890/4885SELE 1940/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SELL 275/4885SELP 365/4885SELE 360/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E SELL 4555/4885SELP 2018/4885SELE 3828/4885

“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.