SCHEMBL14926987

SCHEMBL14926987

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ CYP11B1 P15538 3/20 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
SCHEMBL12072675 0.91 PDE10A (0.43) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL14903970 0.81 PDE10A (0.40) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL14926990 0.78 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCYP11B1
SCHEMBL14926984 0.77 PDCD1 (0.47) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL14926972 0.76 ESR1 (0.39) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL14903982 0.74 PDGFRB (0.53) ALDH1A1CYP11B1CYP11B2MTNR1AMTNR1B
SCHEMBL14903974 0.73 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DCYP11B1
SCHEMBL12070517 0.72 USP2 (0.44) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL12074762 0.72 PDE10A (0.43) USP2CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL12072698 0.69 SMN1; SMN2 (0.48) USP2CYP1A2CYP3A4CYP2D6ALOX15

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 2 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

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 USP2 4630/4885CYP1A2 2201/4885CYP3A4 2285/4885

“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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