SCHEMBL5034718

SCHEMBL5034718

O=C(O)c1c(C(=O)O)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ TOP1 P11387 3/20 0.34
▸ CYCS P99999 3/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL8909383 0.91 STAT3 (0.35) STAT3STAT1TOP1CYCSSMAD3
SCHEMBL29727480 0.85 STAT3 (0.49) STAT3STAT1TOP1CYCSKDM4E
SCHEMBL455575 0.85 STAT3 (0.49) STAT3STAT1TOP1CYCSKDM4E
SCHEMBL351525 0.85 BRD4 (0.35) STAT3STAT1KDM4EHSD17B10MAPT
SCHEMBL28979122 0.84 STAT3 (0.48) STAT3STAT1TOP1CYCSKDM4E
SCHEMBL28680348 0.84 STAT3 (0.48) STAT3STAT1TOP1CYCSKDM4E
SCHEMBL31678979 0.84 STAT3 (0.48) STAT3STAT1TOP1CYCSKDM4E
Hydrogen Peroxide SCHEMBL28310892 0.83 STAT3 (0.43) STAT3STAT1
SCHEMBL3125425 0.83 STAT3 (0.49) STAT3STAT1TOP1CYCSSMAD3
Terephthalic Acid SCHEMBL28411701 0.82 TSHR (0.44) TOP1CYCSKDM4EHPGDSRD5A2

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-20080283122-A1 Beta-Substituted Porphyrins CAMPBELL WAYNE MASON 2008-11-20 — — 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-20080283122-A1 Beta-Substituted Porphyrins PPOX, HMBS, CRY1 STAT3 3336/4885STAT1 4389/4885TOP1 2190/4885

“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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