SCHEMBL2394620

SCHEMBL2394620

N#CCc1ccc(C(=O)O)c(CC#N)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
FOLH1 Q04609 1/20 0.33
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
TSPO P30536 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ME2 P23368 1/20 0.30
ME1 P48163 1/20 0.30
ME3 Q16798 1/20 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
SCHEMBL2397071 0.83 CYP1A2 (0.44) CYP1A2KMT2AALDH1A1HPGDMEN1
SCHEMBL207494 0.71 GABRP (0.41) CYP1A2RXRARXRBKMT2AALDH1A1
SCHEMBL2422410 0.71 FOLH1 (0.53) FOLH1FFAR1FFAR4KMT2AALDH1A1
SCHEMBL17424942 0.70 ALDH1A1 (0.48) KMT2AALDH1A1HPGDALOX15
SCHEMBL27540363 0.70 HMGB1 (0.38) FOLH1KMT2AALDH1A1HPGDMEN1
SCHEMBL19331450 0.70 RXRA (0.33) CYP1A2RXRARXRBRXRGALDH1A1
SCHEMBL27453781 0.69 CYP1A2 (0.38) CYP1A2FOLH1ALDH1A1HPGDALOX15
SCHEMBL28943131 0.69 GABRP (0.40) CYP1A2RXRARXRBKMT2AALDH1A1
SCHEMBL1720707 0.69 CSNK2A1 (0.50) RXRARXRBRXRGKMT2AALDH1A1
SCHEMBL3969507 0.69 KDM4E (0.44) KMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CYP1A2 2262/4885RXRA 45/4885RXRB 160/4885

“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.