SCHEMBL13345043

SCHEMBL13345043

CCCCC(CC)CN1c2ccccc2Sc2cc(/C=C(/C#N)C(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ POLB P06746 2/20 0.36

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
SCHEMBL13344643 0.95 EGFR (0.40) ALDH1A1EGFRKDM4EPOLB
SCHEMBL17226387 0.87 PTGS1 (0.37) ALDH1A1LMNAMAPK1KDM4EBCHE
SCHEMBL13310455 0.84 PTGS1 (0.36) ALDH1A1LMNAMAPK1FNTAFNTB
SCHEMBL13310457 0.82 PTGS1 (0.41) ALDH1A1LMNAMAPK1KDM4EBCHE
SCHEMBL17372277 0.79 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1EGFRKDM4E
SCHEMBL2251832 0.77 PTGS1 (0.54) ALDH1A1LMNAMAPK1KDM4EBCHE
SCHEMBL30249167 0.77 PDF (0.39) LMNAMAPK1FNTAFNTBKDM4E
SCHEMBL13310458 0.76 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1KDM4EBCHE
SCHEMBL17368894 0.76 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1EGFRKDM4E
SCHEMBL12334352 0.76 MAOB (0.37) ALDH1A1LMNAMAPK1EGFR

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-20100132796-A1 DYE COMPOUND FOR DYE-SENSITIZED SOLAR CELLS, DYE-SENSITIZED PHOTOELECTRIC CONVERTER AND DYE-SENSITIZED SOLAR CELLS SAMSUNG ELECTRO-MECHANICS CO., LTD. 2010-06-03 — — 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-20100132796-A1 DYE COMPOUND FOR DYE-SENSITIZED SOLAR CELLS, DYE-SENSITIZED PHOTOELECTRIC CONVERTER AND DYE-SENSITIZED SOLAR CELLS CRY1, XPA, C1S ALDH1A1 971/4885LMNA 1371/4885MAPK1 280/4885

“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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