SCHEMBL1150835

SCHEMBL1150835

CCc1ccccc1CCCO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.46
CYP4F2 P78329 3/20 0.46
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
LIPG Q9Y5X9 1/20 0.42
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ELANE P08246 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL9026453 0.93 CYP4F2 (0.49) CYP4A11CYP4F2GABRA1GABRB2LIPG
SCHEMBL3827720 0.91 LIPG (0.48) CYP4A11CYP4F2GABRA1GABRB2LIPG
SCHEMBL29681353 0.88 TDP1 (0.43) CYP4A11CYP4F2LIPGPOLBKDM4E
SCHEMBL1607140 0.88 TDP1 (0.43) CYP4A11CYP4F2LIPGPOLBKDM4E
SCHEMBL29681348 0.88 TDP1 (0.43) CYP4A11CYP4F2LIPGPOLBKDM4E
SCHEMBL12634509 0.86 LIPG (0.52) CYP4A11CYP4F2LIPG
SCHEMBL13552185 0.86 LIPG (0.47) CYP4A11CYP4F2LIPGPOLBKDM4E
SCHEMBL3022571 0.86 GABRA1 (0.48) CYP4A11CYP4F2GABRA1GABRB2MGLL
SCHEMBL3271303 0.84 LIPG (0.60) CYP4A11CYP4F2LIPG
SCHEMBL27292 0.81 CYP4F2 (0.49) CYP4A11CYP4F2LIPGPOLBKDM4E

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-1268568-A4 NO VOC RADIATION CURABLE RESIN COMPOSITIONS FOSTER MILLER INC (US) 2003-05-28 EP claimed
EP-1268568-A1 NO VOC RADIATION CURABLE RESIN COMPOSITIONS FOSTER MILLER, INC. (US) 2003-01-02 EP claimed
WO-2001060870-A1 NO VOC RADIATION CURABLE RESIN COMPOSITIONS FOSTER MILLER, INC. (US) 2001-08-23 WO claimed
EP-2861571-B1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO LTD (KR) 2017-05-03 EP disclosed
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 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 (2 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-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B CYP4A11 1493/4885CYP4F2 1875/4885GABRA1 1360/4885
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C CYP4A11 389/4885CYP4F2 281/4885GABRA1 668/4885

“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.