SCHEMBL4319151

SCHEMBL4319151

C=C(c1ccccc1)c1cc(OC)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HSD11B1 P28845 1/20 0.52
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
KLF5 Q13887 1/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4D Q08499 2/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL5170335 0.85 TP53 (0.48) MAPTHTTALDH1A1RAB9ANPC1
SCHEMBL29726801 0.82 NOS2 (0.52) MAPTHTTALDH1A1RAB9ANPC1
SCHEMBL28558451 0.80 RAB9A (0.54) MAPTHTTALDH1A1RAB9ANPC1
SCHEMBL14366099 0.80 MAPT (0.58) MAPTHTTNPSR1ALDH1A1HSD11B1
SCHEMBL4222291 0.80 MAPT (0.84) MAPTHTTNPSR1ALDH1A1HSD11B1
SCHEMBL18545986 0.80 HPGD (0.67) MAPTHTTALDH1A1RAB9ANPC1
SCHEMBL28561525 0.79 ALDH1A1 (0.49) MAPTHTTNPSR1ALDH1A1RAB9A
SCHEMBL22708261 0.78 NPC1 (0.41) MAPTHTTNPSR1ALDH1A1RAB9A
SCHEMBL9057693 0.78 MAPT (0.51) MAPTHTTNPSR1ALDH1A1HSD11B1
SCHEMBL19122280 0.77 MAPT (0.58) MAPTHTTNPSR1ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 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-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B MAPT 4739/4885HTT 3792/4885NPSR1 1153/4885

“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.