SCHEMBL13310457

SCHEMBL13310457

CCCCC(CC)CN1c2ccccc2Sc2cc(C=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ CHRM2 P08172 4/20 0.41
▸ HTR1A P08908 4/20 0.41
▸ CHRM1 P11229 4/20 0.41
▸ ADRA1A P35348 4/20 0.41
▸ OPRM1 P35372 4/20 0.41
▸ DRD3 P35462 4/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ BCHE P06276 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ADRA2A P08913 3/20 0.41
▸ DRD1 P21728 3/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 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
SCHEMBL13310458 0.94 ALDH1A1 (0.43) PTGS1PTGS2ALDH1A1CYP2D6CHRM2
SCHEMBL2251832 0.86 PTGS1 (0.54) PTGS1PTGS2ALDH1A1CYP2D6CHRM2
SCHEMBL17226387 0.85 PTGS1 (0.37) PTGS1PTGS2ALDH1A1CYP2D6CHRM2
SCHEMBL29279665 0.83 PTGS1 (0.44) PTGS1PTGS2ALDH1A1CYP2D6CHRM2
SCHEMBL30792515 0.83 PTGS1 (0.44) PTGS1PTGS2ALDH1A1CYP2D6CHRM2
SCHEMBL8715162 0.82 KDM1A (0.54) ALDH1A1CYP2D6CHRM2HTR1ACHRM1
SCHEMBL13345043 0.82 ALDH1A1 (0.38) PTGS1PTGS2ALDH1A1BCHEKDM4E
SCHEMBL13310455 0.82 PTGS1 (0.36) PTGS1PTGS2ALDH1A1CYP2D6CHRM2
SCHEMBL31174404 0.80 PDF (0.53) ALDH1A1CYP2D6CHRM2HTR1ACHRM1
SCHEMBL29376040 0.80 PDF (0.48) ALDH1A1CYP2D6CHRM2HTR1ACHRM1

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-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
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 PTGS1 2628/4885PTGS2 2914/4885ALDH1A1 971/4885

“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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