SCHEMBL786142

SCHEMBL786142

CC(C)Cc1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.61
RXRB P28702 1/20 0.61
RXRG P48443 1/20 0.61
ABL1 P00519 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP4F2 P78329 4/20 0.39
CYP4A11 Q02928 4/20 0.39
KMT2A Q03164 2/20 0.38
PDE2A O00408 1/20 0.36
SMO Q99835 1/20 0.35
IDH1 O75874 1/20 0.35
HTR2A P28223 3/20 0.35
HTR7 P34969 3/20 0.35
RET P07949 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
DRD2 P14416 1/20 0.35
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL10231494 0.87 RXRA (0.64) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29433054 0.84 RXRA (0.67) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL10231496 0.84 RXRA (0.67) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2471554 0.84 RXRA (0.64) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL3640296 0.84 RXRA (0.64) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL785313 0.84 RXRA (0.61) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL786523 0.83 RXRA (0.63) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL10231475 0.82 RXRA (0.62) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL14553594 0.82 RXRA (0.62) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL14553593 0.82 RXRA (0.65) RXRARXRBRXRGALDH1A1LMNA

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-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 (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.