SCHEMBL14927044

SCHEMBL14927044

COc1cc(-c2cc3cc(C)c(C)cc3c(=O)[nH]2)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MET P08581 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ TNKS O95271 3/20 0.39
▸ TNKS2 Q9H2K2 2/20 0.39
▸ FYN P06241 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GUSB P08236 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ DHFR P00374 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
SCHEMBL12070664 0.91 NQO2 (0.42) KMT2AMETKDRPDGFRBTNKS
SCHEMBL14927077 0.84 KDM4E (0.46) TNKSTNKS2NPC1RAB9AADORA2A
SCHEMBL12070655 0.81 KMT2A (0.42) KMT2ATNKSTNKS2MEN1GUSB
SCHEMBL12071547 0.80 PDE3B (0.48) KMT2ATNKSTNKS2MEN1GUSB
SCHEMBL14927080 0.79 PARP1 (0.47) TNKSTNKS2NPC1RAB9AADORA2A
SCHEMBL9986595 0.77 PDE10A (0.47) KMT2ATNKSTNKS2MEN1GUSB
SCHEMBL16499568 0.77 PDE10A (0.47) KMT2ATNKSTNKS2MEN1GUSB
SCHEMBL14927043 0.75 FYN (0.42) KMT2AKDRPDGFRBFYNMEN1
SCHEMBL14927039 0.74 TNKS (0.38) KMT2ATNKSTNKS2MEN1NPC1
SCHEMBL31611876 0.74 TNKS (0.51) KMT2ATNKSTNKS2MEN1GUSB

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 KMT2A 3183/4885MET 3741/4885KDR 3810/4885

“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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