SCHEMBL13268136

SCHEMBL13268136

CCc1ccc(-n2c(C)ccc2C)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HRH3 Q9Y5N1 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KLKB1 P03952 1/20 0.33

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
SCHEMBL12662934 0.85 KDM4E (0.49) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL17477885 0.83 KDM4E (0.50) KDM4EL3MBTL1ALDH1A1HRH3SMN1; SMN2
SCHEMBL27594360 0.80 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL3925520 0.78 KDM4E (0.45) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4670524 0.76 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL14022008 0.75 KDM4E (0.58) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4889842 0.75 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL23222239 0.74 UBE2T (0.55) KDM4EALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL5363741 0.72 KDM4E (0.55) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL2273392 0.72 KDM4E (0.55) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TDP1

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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B KDM4E 2671/4885L3MBTL1 2487/4885ALDH1A1 159/4885

“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.