SCHEMBL1808576

SCHEMBL1808576

COc1cc([NH])c(Cl)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HTT P42858 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CLCN2 P51788 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39

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
SCHEMBL3387534 0.85 ALDH1A1 (0.56) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL1804337 0.84 GAA (0.49) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL11310945 0.83 LCK (0.58) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL3617721 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL1808816 0.81 TSHR (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL1743592 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL2366676 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL31535290 0.80 LCK (0.65) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL7802404 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL6743024 0.79 LCK (0.58) KDM4EALDH1A1HPGDLCKFYN

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 KDM4E 1406/4885ALDH1A1 218/4885HPGD 1067/4885

“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.

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