SCHEMBL2774772

SCHEMBL2774772

O=C(O)C=Cc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.67
HDAC4 P56524 3/20 0.67
HDAC1 Q13547 3/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HDAC6 Q9UBN7 3/20 0.67
HCAR2 Q8TDS4 2/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
HDAC5 Q9UQL6 2/20 0.67
TNKS O95271 1/20 0.67
TNKS2 Q9H2K2 1/20 0.67
FFAR1 O14842 2/20 0.58
ESR1 P03372 2/20 0.57
ESR2 Q92731 2/20 0.57
CA12 O43570 2/20 0.57
AKR1B10 O60218 2/20 0.57
CA1 P00915 2/20 0.57

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
SCHEMBL2774769 1.00 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4985018 0.85 PLA2G4A (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4985013 0.85 PLA2G4A (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7926019 0.85 FOS (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28657869 0.84 CYP1B1 (0.70) HDAC3HDAC4HDAC1HDAC2HDAC8
Diphenylsulfane SCHEMBL29264708 0.83 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1431255 0.82 HCAR2 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1431257 0.82 HCAR2 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10747781 0.81 HDAC1 (0.91) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10747790 0.81 HDAC1 (0.91) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045800-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-13 US disclosed
US-8372823-B2 Tetracyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2013-02-12 US disclosed
EP-2152082-B1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2012-08-29 EP disclosed
US-20100249078-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPS RESEARCH INSTITUTE (US) 2010-09-30 US disclosed
EP-2152082-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2010-02-17 EP disclosed
WO-2008147553-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-04 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 (2 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-20100249078-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH HDAC3 55/4885HDAC4 78/4885HDAC1 81/4885
US-20140045800-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH HDAC3 55/4885HDAC4 78/4885HDAC1 81/4885

“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.