SCHEMBL17050818

SCHEMBL17050818

COc1ccc(COc2ccc(OC)cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.60
ENPP2 Q13822 1/20 0.55
APP P05067 5/20 0.50
ABCB1 P08183 2/20 0.50
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
IDO1 P14902 1/20 0.47
AGXT P21549 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9331139 0.91 MRGPRX4 (0.55) MRGPRX4ENPP2APPABCB1ALDH1A1
SCHEMBL14985920 0.89 ENPP2 (0.55) MRGPRX4ENPP2APPALDH1A1NPC1
SCHEMBL29376917 0.88 MRGPRX4 (0.60) MRGPRX4ENPP2APPABCB1ALDH1A1
SCHEMBL8410512 0.88 MRGPRX4 (0.60) MRGPRX4ENPP2APPABCB1ALDH1A1
SCHEMBL1015213 0.87 CCR5 (0.54) MRGPRX4ENPP2APPALDH1A1MAOB
SCHEMBL12954849 0.87 ENPP2 (0.50) MRGPRX4ENPP2APPABCB1ALDH1A1
SCHEMBL14854921 0.87 NPC1 (0.51) MRGPRX4ENPP2APPABCB1ALDH1A1
SCHEMBL3656490 0.85 ENPP2 (0.51) MRGPRX4ENPP2APPABCB1ALDH1A1
SCHEMBL29088121 0.84 MRGPRX4 (0.59) MRGPRX4
SCHEMBL8410186 0.84 MRGPRX4 (0.55) MRGPRX4ENPP2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 MRGPRX4 1931/4885ENPP2 501/4885APP 2384/4885

“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.