SCHEMBL2201633

SCHEMBL2201633

Cc1ccc(N2CCCc3cc(/C=C/C=O)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 2/20 0.43
SRD5A1 P18405 5/20 0.40
OPRM1 P35372 6/20 0.39
OPRK1 P41145 6/20 0.39
OPRD1 P41143 5/20 0.38
KCNQ2 O43526 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2201637 1.00 ALDH1A1 (0.46) ALDH1A1GAAMEN1MAPTHPGD
SCHEMBL7038721 0.87 ALDH1A1 (0.61) ALDH1A1GAAMEN1MAPTHPGD
SCHEMBL25216589 0.79 ALDH1A1 (0.73) ALDH1A1GAAMEN1MAPTHPGD
SCHEMBL31696344 0.79 ALDH1A1 (0.73) ALDH1A1GAAMEN1MAPTHPGD
SCHEMBL2199560 0.78 PDK2 (0.39) ALDH1A1GAAMEN1MAPTHPGD
SCHEMBL2199557 0.78 PDK2 (0.39) ALDH1A1GAAMEN1MAPTHPGD
SCHEMBL12305892 0.78 MAOB (0.44) ALDH1A1MEN1MAPTKMT2ASRD5A1
SCHEMBL30423126 0.75 ALDH1A1 (0.68) ALDH1A1GAAMEN1MAPTHPGD
SCHEMBL12305825 0.75 EGFR (0.44) ALDH1A1HPGDKDM4E
SCHEMBL12428197 0.74 KMT2A (0.48) ALDH1A1GAAMEN1MAPTHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-20090084441-A1 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-04-02 US disclosed
US-20090084441-A1 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-04-02 US disclosed
US-20090084441-A1 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-04-02 US disclosed
EP-1885015-A1 DYE-SENSITIZED PHOTOELECTRIC CONVERSION DEVICE Nippon Kayaku Kabushiki Kaisha (JP) 2008-02-06 EP disclosed
EP-1885015-A1 DYE-SENSITIZED PHOTOELECTRIC CONVERSION DEVICE Nippon Kayaku Kabushiki Kaisha (JP) 2008-02-06 EP 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-20090084441-A1 Dye-sensitized photoelectric conversion device CRY1, H1-5, H1-0 ALDH1A1 235/4885GAA 4576/4885MEN1 251/4885

“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.