SCHEMBL3659539

SCHEMBL3659539

COC(=O)Cc1ccc(OCc2ccc(OC)cc2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.53
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
PDK2 Q15119 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
CYP3A4 P08684 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
ENPP2 Q13822 1/20 0.48
PPARD Q03181 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 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
SCHEMBL11462250 0.88 PPARD (0.57) MRGPRX4ALDH1A1NPC1RAB9AKDM4E
SCHEMBL10832407 0.88 SMN1; SMN2 (0.54) MRGPRX4ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5099127 0.88 HTT (0.52) ALDH1A1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL29874847 0.86 HTT (0.58) MRGPRX4ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL19926092 0.86 HTT (0.58) MRGPRX4ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL3239979 0.83 MRGPRX4 (0.48) MRGPRX4ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL7896877 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAPOLBHTT
SCHEMBL21218582 0.82 MTNR1A (0.52) MRGPRX4ALDH1A1NPC1RAB9AKDM4E
SCHEMBL17050818 0.81 MRGPRX4 (0.60) MRGPRX4ALDH1A1NPC1RAB9AKDM4E
SCHEMBL14985920 0.80 ENPP2 (0.55) MRGPRX4ALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
EP-2217592-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 WO disclosed
WO-2009058300-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-05-07 WO 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-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 MRGPRX4 39/4885ALDH1A1 1437/4885NPC1 857/4885

“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.