SCHEMBL25910486

SCHEMBL25910486

CCC(C)(C)C1CCC(C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
HSD11B1 P28845 1/20 0.36
LIPA P38571 1/20 0.35
EPHX1 P07099 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2151480 0.91
SCHEMBL9959957 0.81 KDM4E (0.36) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL8759751 0.80 KDM4E (0.38) KDM4EGAAALDH1A1HTTTDP1
SCHEMBL27756281 0.80
SCHEMBL24918924 0.79 KDM4E (0.35) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL12852025 0.79 KDM4E (0.35) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL9959956 0.79 KDM4E (0.35) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL22247136 0.79 KDM4E (0.35) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL9051339 0.79 KDM4E (0.35) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL1162181 0.79 SHBG (0.39) KDM4EOPRM1OPRK1OPRL1GAA

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-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 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-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 KDM4E 1778/4885HSD11B1 2442/4885LIPA 4441/4885

“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.