SCHEMBL786523

SCHEMBL786523

c1cc2c(cnn2C2CCCCO2)cc1CC1CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.63
RXRB P28702 1/20 0.63
RXRG P48443 1/20 0.63
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP4F2 P78329 6/20 0.38
CYP4A11 Q02928 6/20 0.38
SMO Q99835 1/20 0.36
GRIN2B Q13224 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATR Q13535 3/20 0.32
F2 P00734 1/20 0.32
PDE9A O76083 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL29433054 0.86 RXRA (0.67) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL10231494 0.86 RXRA (0.64) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL2471554 0.86 RXRA (0.64) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL3640296 0.86 RXRA (0.64) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL10231496 0.86 RXRA (0.67) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL14553593 0.84 RXRA (0.65) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL14553594 0.84 RXRA (0.62) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL10231475 0.84 RXRA (0.62) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL786142 0.83 RXRA (0.61) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL28690927 0.83 RXRA (0.64) RXRARXRBRXRGPOLBALDH1A1

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 2 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
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.