SCHEMBL4433152

SCHEMBL4433152

CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 1.00
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TAAR1 Q96RJ0 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.42

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
SCHEMBL30192907 1.00 CES2 (1.00) CES2MAPTRXFP1TAAR1NPC1
SCHEMBL24013409 0.85 CES2 (0.74) CES2TAAR1NPC1GAARAB9A
SCHEMBL4437059 0.85 CES2 (0.74) CES2MAPTRXFP1TAAR1NPC1
SCHEMBL4440938 0.85 CES2 (0.74) CES2TAAR1NPC1GAARAB9A
SCHEMBL15339808 0.85 CES2 (0.74) CES2TAAR1NPC1GAARAB9A
SCHEMBL4437533 0.82 CES2 (0.69) CES2NPC1RAB9A
SCHEMBL4443290 0.81 CES2 (0.68) CES2TAAR1NPC1GAARAB9A
SCHEMBL24013513 0.81 CES2 (0.67) CES2MAPTTAAR1NPC1GAA
SCHEMBL3240006 0.80 CES2 (0.66) CES2MAPTRXFP1TAAR1NPC1
SCHEMBL24013826 0.80 CES2 (0.66) CES2MAPTTAAR1NPC1GAA

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 CES2 679/4885MAPT 4221/4885RXFP1 4108/4885

“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.