SCHEMBL4437059

SCHEMBL4437059

CCOc1ccccc1OC(=O)NCCc1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.74
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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 0.85 CES2 (1.00) CES2RXFP1GAANPC1RAB9A
SCHEMBL4433152 0.85 CES2 (1.00) CES2RXFP1GAANPC1RAB9A
SCHEMBL2725306 0.84 CES2 (0.54) CES2MEN1KMT2AGAALMNA
SCHEMBL15334134 0.84 NPC1 (0.66) CES2KMT2AGAANPC1RAB9A
SCHEMBL15339806 0.84 CES2 (0.52) CES2MEN1KMT2ARXFP1GAA
SCHEMBL2726712 0.83 RAB9A (0.55) CES2GAANPC1RAB9ATAAR1
SCHEMBL15339807 0.83 CES2 (0.52) CES2MEN1KMT2AGAANPC1
SCHEMBL2725992 0.82 CES2 (0.51) CES2MEN1KMT2AGAANPC1
SCHEMBL793712 0.82 KMT2A (0.63) CES2MEN1KMT2ARXFP1KDM4E
SCHEMBL4446696 0.81 MEN1 (0.62) CES2MEN1KMT2ANPC1RAB9A

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 679/4885MEN1 2343/4885KMT2A 684/4885

“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.