SCHEMBL20125692

SCHEMBL20125692

Cc1ccc(C)n1CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
GRM2 Q14416 5/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9772348 0.69 PRKCI (0.45) KDM4EALDH1A1MAPTALOX15MEN1
SCHEMBL24336172 0.69 MAPK1 (0.33) ALDH1A1THRB
SCHEMBL6760708 0.67
SCHEMBL20425981 0.66 CTSS (0.30)
SCHEMBL15043739 0.65 PI4KA (0.30)
SCHEMBL13111957 0.65 CYP1A2 (0.56) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL15693098 0.65 GRM2 (0.39) GRM2GAASMN1; SMN2
SCHEMBL20154064 0.63 SHBG (0.37) ALDH1A1POLB
SCHEMBL11339139 0.63 PRKCI (0.50) KDM4EALDH1A1MAPTALOX15MEN1
SCHEMBL11489947 0.61 PRKCI (0.39) KDM4EALDH1A1MAPTALOX15MEN1

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-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH 2018-05-10 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-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS KDM4E 1316/4885ALDH1A1 296/4885MAPT 4608/4885

“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.