SCHEMBL978001

SCHEMBL978001

O=c1[nH]nc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCCCC3)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NOTUM Q6P988 9/20 0.43
▸ CXCR3 P49682 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX5AP P20292 2/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.38

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
SCHEMBL975660 0.80 KDM4E (0.46) MEN1KMT2ANOTUMHPGDALOX5AP
SCHEMBL12920627 0.79 ALOX5AP (0.57) MEN1KMT2AALOX5AP
SCHEMBL979095 0.79 ALOX5AP (0.57) MEN1KMT2AALOX5AP
SCHEMBL977680 0.79 MAPK14 (0.47) HPGDALOX5APPDE10AKDM4EALDH1A1
SCHEMBL3000311 0.78 ALOX5AP (0.52) MEN1KMT2ANOTUMCXCR3HPGD
SCHEMBL3713837 0.76 HPGD (0.41) HPGDALOX5APGPR119BRD4CREBBP
SCHEMBL975773 0.75 CYP1A2 (0.47) HPGDALOX5APPDE10AKDM4EALDH1A1
SCHEMBL976155 0.75 MAPK14 (0.47) HPGDALOX5APPDE10AKDM4EALDH1A1
SCHEMBL977196 0.75 CYP3A4 (0.44) HPGDALOX5APPDE10AKDM4EALDH1A1
SCHEMBL976551 0.75 PARP10 (0.56) HPGDALOX5APKDM4EALDH1A1SMN1; SMN2

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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 — — 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S MEN1 4828/4885KMT2A 4659/4885NOTUM 265/4885

“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.

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