SCHEMBL3960432

SCHEMBL3960432

COc1ccc(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.48
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CYP2E1 P05181 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42
CYP3A7 P24462 1/20 0.42
CYP2F1 P24903 1/20 0.42

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
SCHEMBL17754489 0.82 APP (0.49) APPPDGFRBPDGFRAHSD17B1HSD17B2
SCHEMBL14849707 0.81 APP (0.52) APPPDGFRBPDGFRACYP2E1CYP3A4
SCHEMBL5645611 0.79 APP (0.50) APPPDGFRBPDGFRACYP2E1CYP3A4
SCHEMBL14871942 0.79 APP (0.46) APPPDGFRBPDGFRACYP2E1CYP3A4
SCHEMBL10471434 0.78 APP (0.53) APPPDGFRBPDGFRACYP2E1CYP3A4
SCHEMBL14770213 0.77 HDAC1 (0.50) APPALDH1A1RAB9ANPC1HPGD
SCHEMBL3199986 0.77 HSD17B1 (0.42) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL11522028 0.77 APP (0.83) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL498650 0.75 HSD17B1 (0.65) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27898247 0.75 CYP1A2 (0.51) CYP3A4CYP2C9HSD17B1HSD17B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
EP-1367111-B1 PHOTOCHROMIC MATERIAL JAPAN SCIENCE & TECH AGENCY (JP) 2009-07-22 EP disclosed
EP-1367111-B1 PHOTOCHROMIC MATERIAL JAPAN SCIENCE & TECH AGENCY (JP) 2009-07-22 EP disclosed
US-7057054-B2 Hexafluorocyclopentene di-substituted with an alkoxy- and aryl-substituted furan and/or thiophene; e.g., 1,2-bis(2-methoxy-5-phenyl-3-thienyl)hexafluorocyclopentene; nonfading JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2006-06-06 US disclosed
US-20040049040-A1 Pohtochromic material JAPAN SCIENCE AND TECHNOLOGY CORPORATION 2004-03-11 US disclosed
EP-1367111-A1 PHOTOCHROMIC MATERIAL Japan Science and Technology Corporation (JP) 2003-12-03 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 (1 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-20040049040-A1 Pohtochromic material CRY1, CRY2, PAH APP 2683/4885PDGFRB 4370/4885PDGFRA 4092/4885

“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.