SCHEMBL12499092

SCHEMBL12499092

CC/C(=C\c1cc(Cl)nc(C2CC2)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.36
POLB P06746 2/20 0.33
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPEP1 P16444 2/20 0.32
CYP1A2 P05177 1/20 0.31
ALPL P05186 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4D Q08499 1/20 0.31
EPHX2 P34913 2/20 0.31
KMT2A Q03164 2/20 0.30

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
SCHEMBL12499098 1.00 TBXAS1 (0.36) TBXAS1POLBPPARAKDM4EALDH1A1
SCHEMBL9515238 0.84 TBXAS1 (0.43) TBXAS1ALDH1A1MAPK1CYP2C9CYP2C19
SCHEMBL9515243 0.84 TBXAS1 (0.43) TBXAS1ALDH1A1MAPK1CYP2C9CYP2C19
SCHEMBL12498548 0.77 TBXAS1 (0.41) TBXAS1KDM4ECYP2C9EPHX2
SCHEMBL12498556 0.77 TBXAS1 (0.41) TBXAS1KDM4ECYP2C9EPHX2
SCHEMBL12499095 0.72 CYP3A4 (0.46) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL17053149 0.70 TBXAS1 (0.43) TBXAS1KDM4EALDH1A1MAPK1CYP2C9
SCHEMBL2392804 0.69 TTR (0.41) TBXAS1POLBKDM4EALDH1A1MAPT
SCHEMBL1914012 0.67 TBXAS1 (0.47) TBXAS1MAPTCYP2C9EPHX2
SCHEMBL12499649 0.67 TBXAS1 (0.50) TBXAS1ALDH1A1MAPTL3MBTL1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 TBXAS1 3168/4885POLB 252/4885PPARA 1986/4885

“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.