SCHEMBL22639

SCHEMBL22639

CC(C)(C)c1ccc[c]c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL29154696 0.84
SCHEMBL1068807 0.83 CA2 (0.32) CA2ALDH1A1TSHRTDP1
SCHEMBL19405588 0.79
SCHEMBL81363 0.79 ALDH1A1 (0.39) CA2ALDH1A1TDP1
SCHEMBL25395691 0.78
SCHEMBL4278497 0.78
SCHEMBL19133536 0.76
SCHEMBL23004 0.74 CA2 (0.41) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL125906 0.74 CA2 (0.41) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL4493452 0.74 CA2 (0.37) CA2ALDH1A1TSHRTDP1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US claimed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-1454931-B1 PROPYLENE BLOCK COPOLYMER JAPAN POLYPROPYLENE CORP (JP) 2018-01-24 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2009017-B1 NOVEL TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING PROPYLENE/ETHYLENE-ALPHA -OLEFIN BLOCK COPOLYMER BY USING THE CATALYST JAPAN POLYPROPYLENE CORP (JP) 2013-06-26 EP disclosed
EP-2588480-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; SANOFI (FR) 2013-05-08 EP disclosed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
WO-2011161537-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 WO disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
US-20090099310-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING PROPYLENE/ETHYLENE-ALPHA-OLEFIN BLOCK COPOLYMER BY USING THE CATALYST JAPAN POLYPROPYLENE CORPORATION (JP) 2009-04-16 US disclosed
EP-2009017-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING PROPYLENE/ETHYLENE-ALPHA -OLEFIN BLOCK COPOLYMER BY USING THE CATALYST Japan Polypropylene Corporation (JP) 2008-12-31 EP disclosed
EP-1945029-A2 INHIBITORS OF ION CHANNELS Icagen, Inc. (US) 2008-07-23 EP disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
WO-2007056099-A2 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2007-05-18 WO disclosed
US-6916886-B2 Propylene block copolymer JAPAN POLYPROPYLENE CORPORATION (JP) 2005-07-12 US disclosed
US-20050009993-A1 Propylene block copolymer JAPAN POLYPROPYLENE CORPORATION (JP) 2005-01-13 US disclosed
EP-1454931-A1 PROPYLENE BLOCK COPOLYMER Japan Polypropylene Corporation (JP) 2004-09-08 EP 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CA2 169/4885ALDH1A1 3113/4885TSHR 4222/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CA2 169/4885ALDH1A1 3113/4885TSHR 4222/4885
US-20090099310-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING PROPYLENE/ETHYLENE-ALPHA-OLEFIN BLOCK COPOLYMER BY USING THE CATALYST ALOX12, ETFB, POF1B CA2 2474/4885ALDH1A1 730/4885TSHR 4208/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX CA2 86/4885ALDH1A1 1019/4885TSHR 1336/4885

“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.