SCHEMBL786121

SCHEMBL786121

FC(F)(F)c1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
S1PR1 P21453 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
FGFR1 P11362 1/20 0.34
DDR2 Q16832 1/20 0.34
TSHR P16473 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
SCHEMBL14553589 0.82 RXRA (0.57) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL16569539 0.81 RXRA (0.61) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30162982 0.81 RXRA (0.58) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5401611 0.81 RXRA (0.58) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29926106 0.81 RXRA (0.61) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL767811 0.81 RXRA (0.58) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL770688 0.81 RXRA (0.58) RXRARXRBRXRGCYP11B2CYP11B1
SCHEMBL10172904 0.81 RXRA (0.58) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL658009 0.81 RXRA (0.58) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL767127 0.80 RXRA (0.51) 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.