SCHEMBL4437533

SCHEMBL4437533

CC(C)c1ccccc1OC(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.69
ALDH1A1 P00352 4/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.52
FAAH O00519 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL4446696 0.86 MEN1 (0.62) CES2ALDH1A1HTTLMNAFAAH
SCHEMBL4433152 0.82 CES2 (1.00) CES2NPC1RAB9A
SCHEMBL30192907 0.82 CES2 (1.00) CES2NPC1RAB9A
SCHEMBL4440938 0.79 CES2 (0.74) CES2ALDH1A1MEN1KMT2AHPGD
SCHEMBL15339808 0.79 CES2 (0.74) CES2HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL25987647 0.79 SMN1; SMN2 (0.74) ALDH1A1LMNAFAAHMEN1KMT2A
SCHEMBL24013409 0.78 CES2 (0.74) CES2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28495982 0.76 HTT (0.60) ALDH1A1HTTLMNAFAAHMEN1
SCHEMBL4443290 0.76 CES2 (0.68) CES2MEN1KMT2ANPC1RAB9A
SCHEMBL28496879 0.75 NPC1 (0.65) ALDH1A1HTTLMNAFAAHHPGD

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 679/4885ALDH1A1 444/4885HTT 4064/4885

“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.