SCHEMBL770688

SCHEMBL770688

Cc1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
RXRG P48443 1/20 0.58
POLB P06746 2/20 0.46
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ATR Q13535 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
PDE1A P54750 1/20 0.36

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
SCHEMBL17034421 0.89 RXRA (0.50) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL14553589 0.85 RXRA (0.57) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL30162982 0.84 RXRA (0.58) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL29926106 0.84 RXRA (0.61) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL658009 0.84 RXRA (0.58) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL10172904 0.84 RXRA (0.58) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL5401611 0.84 RXRA (0.58) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL16569539 0.84 RXRA (0.61) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL767811 0.84 RXRA (0.58) RXRARXRBRXRGPOLBCYP4F2
SCHEMBL10231494 0.83 RXRA (0.64) RXRARXRBRXRGPOLBCYP4F2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4526293-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME Repare Therapeutics Inc. (CA) 2025-03-26 EP disclosed
CN-115057872-B Substituted heterocyclo-cyclic compounds, preparation and pharmaceutical use thereof 劲方医药科技(上海)股份有限公司 2025-03-18 CN disclosed
CN-112920183-B Compounds as KRAS-G12C inhibitors and uses thereof 南京圣和药业股份有限公司 2024-07-19 CN disclosed
WO-2023220831-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-23 WO disclosed
US-9975856-B2 Process for the preparation of (E)-3-(4-((E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid GENENTECH, INC. (US) 2018-05-22 US disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20170101380-A1 PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID GENENTECH, INC. (US) 2017-04-13 US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 US disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8455534-B2 Estrogen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
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
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 (5 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-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 RXRA 29/4885RXRB 37/4885RXRG 21/4885
US-20170101380-A1 PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID ESR1, ESR2, GPER1 RXRA 39/4885RXRB 74/4885RXRG 57/4885
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
US-20160297767-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.