SCHEMBL794446

SCHEMBL794446

C#Cc1ccc2c(c1)nnn2C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 4/20 0.44
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ USP2 O75604 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RET P07949 1/20 0.32
▸ POLB P06746 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
SCHEMBL794057 0.84 HCAR3 (0.42) HCAR3TSHRALDH1A1LMNARXRA
SCHEMBL793888 0.82 HCAR3 (0.40) HCAR3TSHRALDH1A1LMNARXRA
SCHEMBL794476 0.81 HCAR3 (0.47) HCAR3TSHRALDH1A1LMNARXRA
SCHEMBL29175771 0.81 HCAR3 (0.47) HCAR3TSHRALDH1A1LMNARXRA
SCHEMBL30839246 0.81 HCAR3 (0.47) HCAR3TSHRALDH1A1LMNARXRA
SCHEMBL766981 0.78 RXRA (0.55) ALDH1A1LMNARXRARXRBRXRG
SCHEMBL806435 0.77 USP2 (0.49) HCAR3TSHRALDH1A1LMNAUSP2
SCHEMBL29175741 0.77 L3MBTL1 (0.44) HCAR3ALDH1A1LMNAMAPTPOLB
SCHEMBL30839258 0.77 L3MBTL1 (0.44) HCAR3ALDH1A1LMNAMAPTPOLB
SCHEMBL18260860 0.76 CYP4F2 (0.37) LMNARXRARXRBRXRGCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 — — EP disclosed
EP-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 — — EP disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-9399646-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2016-07-26 — — US disclosed
EP-2735562-B1 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2015-03-11 — — EP disclosed
EP-2735562-B1 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2015-03-11 — — EP disclosed
EP-2735562-A1 Estrogen receptor modulators and uses thereof Seragon Pharmaceuticals, Inc. (US) 2014-05-28 — — EP disclosed
EP-2735562-A1 Estrogen receptor modulators and uses thereof Seragon Pharmaceuticals, Inc. (US) 2014-05-28 — — EP disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
EP-2616445-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2013-07-24 — — EP 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

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-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 HCAR3 143/4885TSHR 180/4885ALDH1A1 1138/4885
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 HCAR3 145/4885TSHR 180/4885ALDH1A1 1178/4885

“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.

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