SCHEMBL13344643

SCHEMBL13344643

CCCCC(CC)CN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CISD1 Q9NZ45 1/20 0.38
▸ SLC16A3 O15427 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SLC16A1 P53985 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38

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
SCHEMBL13345043 0.95 ALDH1A1 (0.38) EGFRPOLBKDM4EALDH1A1
SCHEMBL17226387 0.82 PTGS1 (0.37) KDM4EALDH1A1CYP3A4HPGD
SCHEMBL13310458 0.80 ALDH1A1 (0.43) KDM4EALDH1A1CYP3A4HPGD
SCHEMBL13310455 0.79 PTGS1 (0.36) POLBKDM4EALDH1A1CYP3A4HPGD
SCHEMBL29276557 0.76 EGFR (0.54) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL13310457 0.75 PTGS1 (0.41) KDM4EALDH1A1CYP3A4HPGD
SCHEMBL17372277 0.75 ALDH1A1 (0.40) EGFRPOLBKDM4EALDH1A1CYP3A4
SCHEMBL16596086 0.73 MAPT (0.41) EGFRKDM4ECISD1SLC16A3ALDH1A1
SCHEMBL12334352 0.73 MAOB (0.37) EGFRALDH1A1CYP3A4
SCHEMBL13310453 0.72 KMT2A (0.58) KDM4EALDH1A1HPGD

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 EGFR 3200/4885POLB 3016/4885KDM4E 2676/4885

“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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