SCHEMBL31376496

SCHEMBL31376496

O=C(O)Cc1cc(=O)[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
HPGD P15428 2/20 0.56
MITF O75030 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
MAPT P10636 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
NOS2 P35228 1/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL8366302 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL1253013 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL29443924 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL30430848 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL23721119 0.82 KMT2A (0.54) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL9766046 0.81 L3MBTL1 (0.56) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL9155520 0.81 EGFR (0.55) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL9160532 0.80 KMT2A (0.52) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL9766147 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL1776571 0.80 TSHR (0.52) ALDH1A1KDM4EKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099626-A1 COMPOSITIONS AND METHODS FOR OXONOL DYES WITH NEAR INFRARED FLUORESCENCE WASHINGTON UNIVERSITY (US) 2025-03-27 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-20250099626-A1 COMPOSITIONS AND METHODS FOR OXONOL DYES WITH NEAR INFRARED FLUORESCENCE OGG1, CYBA, OXA1L ALDH1A1 432/4885KDM4E 4752/4885KMT2A 4861/4885

“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.