SCHEMBL3535813

SCHEMBL3535813

COc1c(F)cccc1C(C)(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
KRAS P01116 2/20 0.31
PGR P06401 1/20 0.31
SLC6A3 Q01959 1/20 0.30
TYK2 P29597 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
SCHEMBL13310501 0.80 CA2 (0.41) ARKMT2AKRASSLC6A3
SCHEMBL1626692 0.78 L3MBTL1 (0.38) L3MBTL1SLC6A3
SCHEMBL780814 0.77 ACHE (0.36) ARL3MBTL1PGR
SCHEMBL30966621 0.77 ACHE (0.36) ARL3MBTL1PGR
SCHEMBL23886298 0.77 KMT2A (0.34) ARL3MBTL1KMT2AKRASSLC6A3
SCHEMBL28679019 0.77 CHRM3 (0.35) ARL3MBTL1
SCHEMBL23886230 0.77 KMT2A (0.37) ARKMT2AKRASSLC6A3
SCHEMBL3531673 0.76 AR (0.39) ARKMT2APGR
SCHEMBL31697313 0.76 AR (0.44) ARKMT2AKRAS
SCHEMBL22208564 0.76 AR (0.44) ARKMT2AKRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
CN-100581543-C Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG 2010-01-20 CN disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
CN-1889947-A Tetrahydronaphthalene derivatives, process for their preparation and their use as anti-inflammatory agents SCHERING AG (DE) 2007-01-03 CN disclosed
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 EP disclosed
EP-1638945-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2006-03-29 EP disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 AR 4074/4885L3MBTL1 4867/4885KMT2A 4724/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES AR 3697/4885L3MBTL1 4867/4885KMT2A 4643/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES AR 3564/4885L3MBTL1 4881/4885KMT2A 4630/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES AR 3697/4885L3MBTL1 4867/4885KMT2A 4643/4885

“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.