SCHEMBL806349

SCHEMBL806349

CCc1cc(F)c2c(cnn2C2CCCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
EGFR P00533 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ATR Q13535 4/20 0.35
OPRK1 P41145 8/20 0.34
OPRM1 P35372 5/20 0.34
PDE5A O76074 1/20 0.33
RET P07949 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
SCHEMBL805999 0.87 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19204859 0.85 CYP4F2 (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539789 0.85 CYP4F2 (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25073931 0.82 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19204864 0.81 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL767235 0.81 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30162853 0.81 LMNA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL767492 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL10231494 0.78 RXRA (0.64) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30162823 0.78 EGFR (0.45) RXRARXRBRXRGCYP4F2CYP4A11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299112-B2 Estrogen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
US-20120071535-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 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-20120071535-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 RXRA 34/4885RXRB 38/4885RXRG 21/4885

“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.