SCHEMBL9945997

SCHEMBL9945997

CCCOc1ccc(C(C)C)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
CARM1 Q86X55 1/20 0.61
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
FKBP1A P62942 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL25454005 0.88 CARM1 (0.61) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL9945969 0.87 KDM4E (0.58) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL25907878 0.86 KDM4E (0.72) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL19121936 0.86 KDM4E (0.47) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL20314859 0.85 KDM4E (0.45) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL9946027 0.82 KMT2A (0.48) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL13119614 0.81 KDM4E (0.57) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL22857118 0.81 CARM1 (0.46) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL13889405 0.81 KDM4E (0.46) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL19309248 0.80 THRA (0.53) KDM4ECARM1KMT2AMEN1HTT

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KDM4E 4270/4885CARM1 4297/4885KMT2A 4328/4885

“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.