SCHEMBL12428339

SCHEMBL12428339

CCCCCCCCc1ccc(N2CCCCc3cc(/C=C/C=C4\C(=O)N(c5ccccc5)N=C4C(=O)O)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.40
ADRB1 P08588 6/20 0.40
ADRB3 P13945 6/20 0.40
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 7/20 0.37
MAPT P10636 7/20 0.37
MAPK1 P28482 6/20 0.37
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 5/20 0.37
HTT P42858 3/20 0.37
MDM2 Q00987 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL12428196 0.99 ADRB2 (0.40) ADRB2ADRB1ADRB3OPRK1OPRM1
SCHEMBL13866486 0.96 ADRB2 (0.44) ADRB2ADRB1ADRB3OPRK1KMT2A
SCHEMBL12428133 0.90 ALDH1A1 (0.42) ADRB2ADRB1ADRB3OPRK1OPRM1
SCHEMBL12428287 0.90 KMT2A (0.40) ADRB2ADRB1ADRB3OPRK1KMT2A
SCHEMBL12428212 0.89 ADRB2 (0.47) ADRB2ADRB1ADRB3OPRK1OPRM1
SCHEMBL12428331 0.89 KMT2A (0.47) OPRK1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12428361 0.88 KMT2A (0.40) OPRK1OPRM1OPRD1KMT2AMAPT
SCHEMBL12428334 0.87 MAPT (0.40) OPRK1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12428330 0.87 KMT2A (0.39) OPRK1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12428370 0.86 OPRM1 (0.43) ADRB2ADRB1ADRB3OPRK1OPRM1

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-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

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 ADRB2 1608/4885ADRB1 1522/4885ADRB3 1859/4885

“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.