SCHEMBL12072675

SCHEMBL12072675

COc1cc(Cc2ccccc2)c(-c2cc3cc(OC)c(OC)cc3c(N(C)C)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ CASP3 P42574 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL14926987 0.91 USP2 (0.40) PDE10AALDH1A1USP2CYP1A2CYP3A4
SCHEMBL12072698 0.78 SMN1; SMN2 (0.48) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL12074762 0.78 PDE10A (0.43) PDE10AALDH1A1USP2CYP1A2CYP3A4
SCHEMBL12070517 0.78 USP2 (0.44) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL12070673 0.77 RAC1 (0.49) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL16510678 0.76 PDE10A (0.37) PDE10APDE3BPDE3ACASP3SENP6
SCHEMBL14903970 0.71 PDE10A (0.40) PDE10AALDH1A1USP2CYP1A2CYP3A4
SCHEMBL27741326 0.71 PDE4A (0.48) ALDH1A1CYP1A2CYP2D6HSD17B10TP53
SCHEMBL12072037 0.70 SMN1; SMN2 (0.45) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL12075017 0.70 PDGFRB (0.67) ALDH1A1GLAGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 — — WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — 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 (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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 PDE10A 1864/4885ALDH1A1 3341/4885USP2 4630/4885

“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.

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