SCHEMBL7261654

SCHEMBL7261654

COc1cc(OC)cc(C2=C3C=CC(=N3)C(c3cc(OC)cc(OC)c3)=C3C=CC(=N3)C(c3cc(OC)cc(OC)c3)=C3C=CC(=N3)C(c3ccc(N)cc3)=C3C=CC2=N3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ APP P05067 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL498496 0.87 CYP1B1 (0.42) ALDH1A1SMN1; SMN2HPGDNPC1MAPT
SCHEMBL3424113 0.82 ALDH1A1 (0.42) CYP19A1TDP1ALDH1A1SMN1; SMN2APP
SCHEMBL1680192 0.81 ME2 (0.43) TDP1MAPK1ALDH1A1SMN1; SMN2APP
SCHEMBL26095376 0.81 ALDH1A1 (0.40) CYP19A1TDP1ALDH1A1SMN1; SMN2APP
SCHEMBL26096051 0.81 ALDH1A1 (0.40) CYP19A1TDP1ALDH1A1SMN1; SMN2APP
Hydrochloric Acid SCHEMBL5534014 0.79 ME2 (0.42) TDP1MAPK1ALDH1A1SMN1; SMN2APP
Hydrochloric Acid SCHEMBL15769036 0.78 ME2 (0.41) TDP1MAPK1ALDH1A1SMN1; SMN2APP
SCHEMBL9429810 0.78 ACHE (0.46) TDP1MAPK1ALDH1A1SMN1; SMN2APP
SCHEMBL7261920 0.77 CYP19A1 (0.36) CYP19A1TDP1ALDH1A1SMN1; SMN2APP
SCHEMBL5015257 0.76 CYP1A1 (0.39) TDP1ALDH1A1SMN1; SMN2HPGDNPC1

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-20030203888-A1 Chromophores WELLCOME TRUST LIMITED, THE (GB) 2003-10-30 — — US disclosed
EP-1294726-A2 IMPROVEMENTS IN AND RELATING TO CHROMOPHORES Catalyst Biomedica Ltd (GB) 2003-03-26 — — EP disclosed
WO-2002000662-A1 IMPROVEMENTS IN AND RELATING TO CHROMOPHORES CATALYST BIOMEDICA LIMITED (GB) 2002-01-03 — — WO disclosed
US-6183727-B1 DETECTING A PATHOLOGY OR TARGET TISSUE BY ADMINISTERING A ZINC PHTHALOCYANINE DYES IMAGING MATERIAL AND EXPOSING TO RADIATION WITHOUT DAMAGING THE MAMMALIAN HOST ARIZONA BOARD OF REGENTS 2001-02-06 — — 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-20030203888-A1 Chromophores HCCS, PPOX, HMBS CYP19A1 2552/4885NQO2 1308/4885TDP1 1478/4885

“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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