SCHEMBL14926984

SCHEMBL14926984

Cc1c(-c2ccccc2)cccc1-c1cc2cc(CO)c(CO)cc2c(N(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 16/20 0.47
▸ CD274 Q9NZQ7 16/20 0.47
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL14926972 0.83 ESR1 (0.39) CYP1A2CYP2D6TSHRMAPK1CYP2C19
SCHEMBL12070517 0.81 USP2 (0.44) PDCD1CD274CYP1A2CYP2D6TSHR
SCHEMBL14903961 0.77 PDCD1 (0.48) PDCD1CD274CYP1A2CYP2D6TSHR
SCHEMBL14926987 0.77 USP2 (0.40) CYP1A2CYP2D6TSHRMAPK1CYP2C19
SCHEMBL14926982 0.74 CD274 (0.45) PDCD1CD274
SCHEMBL14903976 0.71 PDCD1 (0.53) PDCD1CD274CYP1A2CYP2C19CYP3A4
SCHEMBL128848 0.69 RAC1 (0.42) PDCD1CD274ALDH1A1
SCHEMBL128040 0.69 RAC1 (0.44) PDCD1CD274ALDH1A1
SCHEMBL5999845 0.68 MEN1 (0.56) CYP1A2CYP2D6TSHRMAPK1CYP2C19
SCHEMBL30389997 0.68 MEN1 (0.56) CYP1A2CYP2D6TSHRMAPK1CYP2C19

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 PDCD1 4176/4885CD274 3356/4885CYP1A2 2201/4885

“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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