SCHEMBL4500371

SCHEMBL4500371

Cc1cc2c(s1)Cc1cc(C)sc1-2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL15001031 0.82 PNMT (0.43) PNMTNOS3NOS2ALDH1A1MEN1
SCHEMBL12711268 0.78 NOS3 (0.35) PNMTNOS3NOS2
SCHEMBL1822840 0.77 PNMT (0.39) PNMTALDH1A1MEN1TSHRCYP2C19
SCHEMBL19122298 0.77
SCHEMBL13183593 0.77 PNMT (0.48) PNMTNOS3NOS2ALDH1A1MEN1
SCHEMBL1823806 0.77 NOS3 (0.39) PNMTNOS3NOS2ALDH1A1
SCHEMBL17339839 0.75 NOTUM (0.36) PNMTNOS3NOS2ALDH1A1TSHR
SCHEMBL10356895 0.73 NOS3 (0.33) PNMTNOS3NOS2
SCHEMBL17339851 0.73 PNMT (0.50) PNMTNOS3NOS2MEN1TSHR
SCHEMBL15274308 0.72 NOS3 (0.32) PNMTNOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130144065-A1 SEMICONDUCTOR MATERIALS PREPARED FROM BRIDGED BITHIAZOLE COPOLYMERS POLYERA CORPORATION (US) 2013-06-06 US disclosed
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
EP-1387827-B1 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2008-09-24 EP disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-20040236115-A1 Synthesis of cyclopentadiene derivatives EQUISTAR CHEMICALS, LP 2004-11-25 US disclosed
EP-1387827-A2 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES Basell Polyolefine GmbH (DE) 2004-02-11 EP disclosed
WO-2002092564-A2 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2002-11-21 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-20040236115-A1 Synthesis of cyclopentadiene derivatives CYCS, DHPS, CBR1 PNMT 932/4885NOS3 869/4885NOS2 443/4885
US-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 PNMT 2760/4885NOS3 159/4885NOS2 262/4885

“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.