SCHEMBL12428133

SCHEMBL12428133

CCCCCCCCc1ccc(N2CCCc3cc(/C=C4\C(=O)N(c5ccccc5)N=C4C(=O)O)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KMT2A Q03164 9/20 0.42
MEN1 O00255 8/20 0.42
MAPT P10636 7/20 0.42
KDM4E B2RXH2 5/20 0.42
ADRB2 P07550 5/20 0.42
ADRB1 P08588 5/20 0.42
ADRB3 P13945 5/20 0.42
THRB P10828 3/20 0.42
MAPK1 P28482 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HPGD P15428 6/20 0.40
TDP1 Q9NUW8 1/20 0.40
TDP2 O95551 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RECQL P46063 2/20 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
SCHEMBL12428128 0.97 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12428187 0.95 OPRM1 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12428188 0.95 OPRM1 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12428166 0.94 ADRB2 (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12428196 0.91 ADRB2 (0.40) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12428339 0.90 ADRB2 (0.40) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12428134 0.88 KMT2A (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12428444 0.88 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12428121 0.87 KAT8 (0.45) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL13866486 0.86 ADRB2 (0.44) ALDH1A1KMT2AMEN1MAPTKDM4E

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 4 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-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

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 235/4885KMT2A 105/4885MEN1 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.