SCHEMBL805877

SCHEMBL805877

Fc1c(C2CC2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CYP4F2 P78329 6/20 0.41
CYP4A11 Q02928 6/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ATR Q13535 5/20 0.38
RET P07949 1/20 0.32
PDE2A O00408 2/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PDE9A O76083 1/20 0.31

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
SCHEMBL31642472 0.85 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27764686 0.85 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30163157 0.84 ALDH1A1 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL767423 0.84 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL806440 0.84 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25242455 0.81 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30444945 0.81 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL10228476 0.81 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL767712 0.80 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL785257 0.80 RXRA (0.43) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012561-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-01-10 US disclosed
US-8299112-B2 Estrogen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
WO-2012037410-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
WO-2012037410-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 (2 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
US-20130012561-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.