SCHEMBL17705386

SCHEMBL17705386

C1=C(/C=C/c2ccccc2)COc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.51
PTGS2 P35354 6/20 0.51
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
MAOB P27338 4/20 0.37
TRPA1 O75762 1/20 0.35
NFE2L2 Q16236 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL9640961 0.78 PTGS1 (0.50) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL4097332 0.78 NPC1 (0.48) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL4097331 0.78 NPC1 (0.48) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL25420534 0.77 PTGS1 (0.48) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL5541284 0.77 PTGS1 (0.48) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL29804937 0.77 PTGS1 (0.51) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL2568148 0.77 PTGS1 (0.51) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL9640959 0.76 PTGS1 (0.37) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL7523379 0.75 MAOB (0.42) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL7523377 0.75 MAOB (0.42) MAPTKDM4ENPC1RAB9AMEN1

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-9812263-B2 Compound and photoelectric conversion device ADEKA CORPORATION (JP) 2017-11-07 US disclosed
US-9812263-B2 Compound and photoelectric conversion device ADEKA CORPORATION (JP) 2017-11-07 US disclosed
US-20160211085-A1 NOVEL COMPOUND AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2016-07-21 US disclosed
US-9324889-B2 Compound and photoelectric conversion device ADEKA CORPORATION (JP) 2016-04-26 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-20160211085-A1 NOVEL COMPOUND AND PHOTOELECTRIC CONVERSION DEVICE CYP1B1, PAH, CRY1 PTGS1 2067/4885PTGS2 2680/4885MAPT 4548/4885

“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.