SCHEMBL786099

SCHEMBL786099

CCc1ccc2c(cnn2C2CCCCO2)c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
CYP4F2 P78329 5/20 0.41
CYP4A11 Q02928 5/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
PDE1A P54750 4/20 0.35
PDE1B Q01064 4/20 0.35
PDE1C Q14123 4/20 0.35
ATR Q13535 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE9A O76083 1/20 0.33
GAA P10253 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
SCHEMBL21195918 0.86 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL10228476 0.86 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21230708 0.86 CYP4F2 (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21195933 0.84 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL767841 0.84 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5409241 0.84 ALDH1A1 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5407010 0.84 CYP4F2 (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL767272 0.82 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21198208 0.81 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5401505 0.80 RXRA (0.41) 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.