SCHEMBL7265156

SCHEMBL7265156

COc1cc(OC)cc(-c2c3nc(c(-c4cc(OC)cc(OC)c4)c4ccc([nH]4)c(-c4cc(OC)cc(OC)c4)c4nc(c(-c5ccc(NC(C)=O)cc5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.53
▸ MTNR1B P49286 2/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ TOP1 P11387 3/20 0.48
▸ CYCS P99999 4/20 0.47
▸ ITK Q08881 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ ADORA3 P0DMS8 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43

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
SCHEMBL8994447 0.88 TOP1 (0.60) MTNR1AMTNR1BABCG2TOP1CYCS
SCHEMBL9910535 0.86 ABCG2 (0.55) ABCG2TOP1CYCSITKSMN1; SMN2
SCHEMBL14077524 0.84 ABCG2 (0.54) MTNR1AMTNR1BABCG2TOP1CYCS
SCHEMBL29408468 0.83 TERT (0.51) ABCG2TOP1CYCSKDM4EALDH1A1
SCHEMBL498495 0.83 TERT (0.51) ABCG2TOP1CYCSKDM4EALDH1A1
SCHEMBL7241022 0.82 TOP1 (0.58) ABCG2TOP1CYCSSMN1; SMN2KDM4E
SCHEMBL7258044 0.82 STAT3 (0.49) MTNR1AMTNR1BABCG2ITKSMN1; SMN2
SCHEMBL1974241 0.80 TOP1 (0.68) ABCG2TOP1CYCSITKSMN1; SMN2
SCHEMBL7261646 0.79 TOP1 (0.60) ABCG2TOP1CYCSSMN1; SMN2ALDH1A1
SCHEMBL7239829 0.77 ALDH1A1 (0.54) ABCG2TOP1CYCSSMN1; SMN2KDM4E

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 6 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
US-6419897-B1 PORPHYRIN COMPOUNDS ARIZONA BOARD OF REGENTS 2002-07-16 — — US disclosed
US-6274729-B1 PREVENT TISSUE DAMAGE ARIZONA BOARD OF REGENTS 2001-08-14 — — US disclosed
US-6207821-B1 Long-wavelength electromagnetic radiation and photoprotective tumor localizing agents for diagnosis ARIZONA BOARD OF REGENTS 2001-03-27 — — US 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
WO-1999059641-A1 USE OF LONG-WAVELENGTH ELECTROMAGNETIC RADIATION OF DIAGNOSIS ARIZONA BOARD OF REGENTS (US) 1999-11-25 — — WO 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 MTNR1A 2928/4885MTNR1B 2441/4885ABCG2 3547/4885

“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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