SCHEMBL12843222

SCHEMBL12843222

CCOC(=O)c1ccc(-c2ccc(-c3c4nc(c(-c5ccc(-c6ccc(C(=O)OCC)cc6)cc5)c5ccc([nH]5)c(-c5ccc(-c6ccc(C(=O)OCC)cc6)cc5)c5nc(c(-c6ccc(-c7ccc(C(=O)OCC)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 4/20 0.63
▸ TOP1 P11387 4/20 0.62
▸ ABCG2 Q9UNQ0 1/20 0.58
▸ ENPP2 Q13822 1/20 0.49
▸ TERT O14746 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HCRTR1 O43613 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SIRT2 Q8IXJ6 3/20 0.46
▸ SIRT1 Q96EB6 2/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ SIRT3 Q9NTG7 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ MMP14 P50281 1/20 0.45

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
SCHEMBL6687798 0.94 TOP1 (0.61) CYCSTOP1ABCG2ENPP2KDM4E
SCHEMBL12190736 0.84 TOP1 (0.55) CYCSTOP1ABCG2ALDH1A1MAPT
SCHEMBL3892703 0.83 ABCG2 (0.71) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL29583274 0.83 ABCG2 (0.71) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28491269 0.82 ABCG2 (0.70) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28463987 0.82 ABCG2 (0.70) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL30872331 0.82 ABCG2 (0.70) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28498163 0.82 ABCG2 (0.70) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28131499 0.82 ABCG2 (0.70) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL27255483 0.82 TOP1 (0.67) CYCSTOP1ABCG2ENPP2TERT

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-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 — — 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-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES HAVCR2, HCCS, HMBS CYCS 33/4885TOP1 2148/4885ABCG2 2061/4885

“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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