SCHEMBL16508773

SCHEMBL16508773

CCN1CCC(F)(CC)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CHRNA7 P36544 1/20 0.31
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD11B1 P28845 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
SCHEMBL16330601 0.83 KDM4E (0.33) KDM4EGAATSHROPRM1OPRD1
SCHEMBL18694515 0.83 KDM4E (0.44) KDM4EGAATSHROPRM1OPRD1
SCHEMBL16508758 0.83 KDM4E (0.33) KDM4EGAATSHROPRM1OPRD1
SCHEMBL26633052 0.82 KDM4E (0.41) KDM4E
SCHEMBL1710042 0.81 KDM4E (0.37) KDM4EGAATSHROPRM1OPRD1
SCHEMBL12589483 0.80 PIM1 (0.36) KDM4EGAATSHROPRM1OPRD1
SCHEMBL15925133 0.80 KDM4E (0.32) KDM4EGAATSHR
SCHEMBL10179741 0.79 KDM4E (0.36) KDM4EGAATSHROPRM1OPRD1
SCHEMBL15305247 0.78 OPRM1 (0.38) KDM4EOPRM1OPRD1OPRK1
SCHEMBL25794064 0.77 KDM4E (0.35) KDM4EGAATSHROPRM1OPRD1

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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA KDM4E 3910/4885GAA 2916/4885TSHR 339/4885

“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.