SCHEMBL14706937

SCHEMBL14706937

COC(=O)c1ccc(-c2c3nc(cc4ccc(cc5nc(c(-c6ccc(C)cc6)c6ccc2[nH]6)C=C5)[nH]4)C=C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ TOP1 P11387 3/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ CYCS P99999 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.43
▸ RHEB Q15382 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41

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
SCHEMBL14708796 0.96 ABCG2 (0.56) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL13547831 0.92 STAT3 (0.56) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL14706938 0.89 ABCG2 (0.53) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL13411108 0.89 ABCG2 (0.49) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL7261867 0.87 STAT3 (0.51) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL12328375 0.86 ABCG2 (0.47) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL14706940 0.86 ABCG2 (0.51) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL5319095 0.83 STAT3 (0.64) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL30205816 0.83 STAT3 (0.64) ABCG2TOP1STAT3STAT1CYCS
SCHEMBL30519987 0.83 STAT3 (0.64) ABCG2TOP1STAT3STAT1CYCS

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-8846905-B2 Porphyrin complex and use thereof KYOTO UNIVERSITY (JP) 2014-09-30 — — US disclosed
US-20130042916-A1 NOVEL PORPHYRIN COMPLEX AND USE THEREOF KYOTO UNIVERSITY (JP) 2013-02-21 — — 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-20130042916-A1 NOVEL PORPHYRIN COMPLEX AND USE THEREOF PPOX, TYR, DDT ABCG2 2416/4885TOP1 2433/4885STAT3 3595/4885

“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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