SCHEMBL2397071

SCHEMBL2397071

N#CCc1c(C(=O)O)ccc(C(=O)O)c1CC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 4/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL2394620 0.83 CYP1A2 (0.34) CYP1A2ALDH1A1ALOX15KMT2AMAPT
SCHEMBL17424942 0.81 ALDH1A1 (0.48) ALDH1A1ALOX15KMT2AHPGDTSHR
SCHEMBL28204162 0.79 TSHR (0.43) CYP1A2ALDH1A1KMT2AMAPTMEN1
SCHEMBL3969207 0.79 ALDH1A1 (0.50) CYP1A2ALDH1A1ALOX15KMT2AHPGD
SCHEMBL3966914 0.78 MAPT (0.44) CYP1A2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3972208 0.78 MAPT (0.55) CYP1A2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL295603 0.77 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15KMT2ASELL
SCHEMBL3973908 0.77 XDH (0.39) ALDH1A1MAPTHPGDTSHRXDH
SCHEMBL27540363 0.77 HMGB1 (0.38) ALDH1A1ALOX15KMT2AMAPTHPGD
SCHEMBL668028 0.75 HTT (0.49) ALDH1A1KMT2AHPGDTSHRCA12

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 2262/4885ALDH1A1 1882/4885ALOX15 1966/4885

“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.