SCHEMBL4437536

SCHEMBL4437536

CCOc1ccccc1OC(=O)NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
FAAH O00519 1/20 0.53
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
EPHX1 P07099 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL15339799 0.88 MEN1 (0.56) POLBFAAHALDH1A1NPC1RAB9A
SCHEMBL2722883 0.86 FAAH (0.53) POLBFAAHALDH1A1NPC1RAB9A
SCHEMBL4438882 0.85 FAAH (0.58) POLBFAAHALDH1A1NPC1RAB9A
SCHEMBL2725301 0.84 FAAH (0.60) POLBFAAHALDH1A1NPC1RAB9A
SCHEMBL2734060 0.83 FAAH (0.53) POLBFAAHALDH1A1NPC1RAB9A
SCHEMBL2723278 0.81 FAAH (0.57) POLBFAAHALDH1A1NPC1RAB9A
SCHEMBL717950 0.77 HPGD (0.63) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL4435233 0.76 KMT2A (0.62) POLBKDM4EKMT2AGAAMAPT
SCHEMBL1838515 0.76 HCRTR1 (0.61) KMT2AL3MBTL1GLA
SCHEMBL9656111 0.75 POLB (0.53) POLBFAAHALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
WO-2012058115-A2 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES CRAVATT BENJAMIN (US) 2012-05-03 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-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES AADAC, DDAH1, PRSS1 POLB 4712/4885FAAH 58/4885ALDH1A1 444/4885

“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.