SCHEMBL12464824

SCHEMBL12464824

CCC(CC)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
KMT2A Q03164 7/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 2/20 0.40
PTPN1 P18031 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 4/20 0.39
GLA P06280 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 6/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL7163947 0.89 MIF (0.40) MIFKMT2APOLBL3MBTL1PKM
SCHEMBL11354508 0.87 MIF (0.42) MIFKMT2APOLBL3MBTL1PKM
SCHEMBL827034 0.87 MIF (0.39) MIFKMT2APOLBL3MBTL1PKM
SCHEMBL1269466 0.85 MIF (0.38) MIFKMT2APOLBL3MBTL1PKM
SCHEMBL11464100 0.85 MIF (0.38) MIFKMT2APOLBL3MBTL1PKM
SCHEMBL14785579 0.83 ALDH1A1 (0.40) MIFKMT2APOLBL3MBTL1PKM
SCHEMBL650776 0.82 MIF (0.36) MIFKMT2APOLBL3MBTL1PKM
SCHEMBL1863820 0.82 NR1I2 (0.41) MIFKMT2APOLBL3MBTL1TP53
SCHEMBL29110955 0.82 MIF (0.50) MIFKMT2APOLBL3MBTL1PKM
SCHEMBL3931360 0.82 MIF (0.68) MIFKMT2APOLBL3MBTL1PKM

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-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed
EP-2093220-A2 Inhibitors of fatty acid amide hydrolase The Scripps Research Institute (US) 2009-08-26 EP disclosed
CN-1017708-B METHOD FOR PREPARATION OF PYRAZOLOTRIAZINE COMPOUNDS OTSUKA CHEMICAL CO LTD (JP) 1992-08-05 CN disclosed
CN-87107217-A Method for preparation of pyrazolotriazine compounds 1988-05-11 CN 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-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 MIF 1259/4885KMT2A 1070/4885POLB 3096/4885

“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.