SCHEMBL977750

SCHEMBL977750

CC1(C)CCC(c2ccc(OCc3ccccn3)cc2)(c2ccc(C(=O)NCc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 2/20 0.51
MAPK14 Q16539 2/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
MDM2 Q00987 1/20 0.48
LMNA P02545 6/20 0.47
PARP10 Q53GL7 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC1 Q13547 1/20 0.45
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.44
MMP13 P45452 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL977198 0.95 MAPK14 (0.56) MEN1KMT2AHPGDMAPK14HSD17B10
SCHEMBL975592 0.91 MAPK14 (0.54) MEN1KMT2AHPGDMAPK14HSD17B10
SCHEMBL977093 0.91 MAPK14 (0.54) MEN1KMT2AHPGDMAPK14HSD17B10
SCHEMBL976571 0.91 MAPK14 (0.51) MEN1KMT2AHPGDMAPK14HSD17B10
SCHEMBL977938 0.87 PARP10 (0.51) MEN1KMT2AHPGDMAPK14HSD17B10
SCHEMBL975686 0.85 PARP10 (0.48) MEN1KMT2AHPGDMAPK14HSD17B10
SCHEMBL978000 0.84 PARP10 (0.52) MEN1KMT2AMAPK14SMN1; SMN2POLB
SCHEMBL976403 0.80 PARP10 (0.60) HPGDMAPK14SMN1; SMN2PARP10
SCHEMBL975447 0.79 PARP10 (0.53) MEN1KMT2AHPGDMAPK14HSD17B10
SCHEMBL975604 0.79 PARP10 (0.53) MEN1KMT2AHPGDMAPK14HSD17B10

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 4659/4885HPGD 145/4885

“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.