SCHEMBL14927042

SCHEMBL14927042

COc1cc(-c2cc3cc(C)c(C)cc3c3[n+]2CCN3C)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.35
▸ ADORA2A P29274 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TGFBR1 P36897 3/20 0.31
▸ ACVR1 Q04771 2/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ DHFR P00374 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ CTDSP1 Q9GZU7 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL16510622 0.92 CTDSP1 (0.37) FYNKDM4ECASP1HSD17B10TGFBR1
SCHEMBL14926995 0.87 PDE5A (0.35) FYNL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL14904334 0.72 FYN (0.34) FYNHTTL3MBTL1MEN1ALDH1A1
SCHEMBL14927043 0.71 FYN (0.42) FYNADORA2AKDM4EHTTHSD17B10
SCHEMBL14927044 0.70 KMT2A (0.40) FYNADORA2AADORA3HTTLMNA
SCHEMBL14927045 0.69 PTAFR (0.49) FYNKDM4ELMNASMN1; SMN2ACHE
SCHEMBL14930719 0.62 FYN (0.40) FYNKDM4ETGFBR1ACVR1RIPK2
SCHEMBL14927046 0.62 PTAFR (0.53) FYN
SCHEMBL12072009 0.62 CTDSP1 (0.46) FYNKDM4EHTTHSD17B10LMNA
SCHEMBL14903987 0.62 KDM4E (0.40) KDM4ECASP1HTTHSD17B10L3MBTL1

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 FYN 3983/4885ADORA2A 2497/4885ADORA3 575/4885

“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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