SCHEMBL22247136

SCHEMBL22247136

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
GAA P10253 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 0.87
SCHEMBL25522286 0.81
SCHEMBL26328069 0.80
SCHEMBL25910486 0.79 KDM4E (0.37) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL16263320 0.78 KDM4E (0.35) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL13643929 0.78 KDM4E (0.32) KDM4E
SCHEMBL9959957 0.77 KDM4E (0.36) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL25019036 0.76 KDM4E (0.31) KDM4EGAA
SCHEMBL8759751 0.76 KDM4E (0.38) KDM4EGAA
SCHEMBL27756281 0.76

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-20200231597-A1 BICYLIC COMPOUND ACTING AS AN INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-23 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-20200231597-A1 BICYLIC COMPOUND ACTING AS AN INHIBITOR RORC, RORB, RORA KDM4E 3668/4885OPRM1 3278/4885OPRK1 1819/4885

“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.