SCHEMBL12450828

SCHEMBL12450828

CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(-c3ccc(C(=O)OC)cc3)c3nc(c(CCCCCC)c4ccc1[nH]4)C(O)C3O)C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ TOP1 P11387 3/20 0.39
▸ CYCS P99999 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34

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
SCHEMBL12392100 1.00 ABCG2 (0.45) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL17689321 0.99 ABCG2 (0.46) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL17688987 0.99 ABCG2 (0.46) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL17688986 0.98 ABCG2 (0.48) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL12392075 0.98 ABCG2 (0.48) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL12451490 0.98 ABCG2 (0.48) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL24689574 0.96 ABCG2 (0.50) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL17688989 0.96 ABCG2 (0.50) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL24689530 0.96 ABCG2 (0.43) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL12451489 0.94 ABCG2 (0.52) ABCG2TOP1CYCSSMN1; SMN2MAPT

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-20110206613-A1 METHOD AND APPLICATION OF UNSYMMETRICALLY meso-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) 2011-08-25 — — 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-20110206613-A1 METHOD AND APPLICATION OF UNSYMMETRICALLY meso-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT PTDSS2, PTDSS1, DLST ABCG2 903/4885TOP1 3107/4885CYCS 1985/4885

“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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