SCHEMBL806435

SCHEMBL806435

c1ccc2c(c1)nnn2C1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BAP1 Q92560 1/20 0.43
▸ HCAR3 P49019 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GBA1 P04062 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL17054853 0.95 ALDH1A1 (0.47) USP2ALDH1A1L3MBTL1LMNANPSR1
SCHEMBL30839246 0.80 HCAR3 (0.47) ALDH1A1L3MBTL1LMNATSHRHCAR3
SCHEMBL794476 0.80 HCAR3 (0.47) ALDH1A1LMNATSHRHCAR3MEN1
SCHEMBL29175771 0.80 HCAR3 (0.47) ALDH1A1L3MBTL1LMNATSHRHCAR3
SCHEMBL27164238 0.80 HCAR3 (0.39) USP2ALDH1A1LMNAHCAR3KMT2A
SCHEMBL23070283 0.78 LMNA (0.39) USP2ALDH1A1LMNANPSR1TSHR
SCHEMBL10770956 0.77 CYP4F2 (0.38) USP2ALDH1A1LMNAHCAR3POLB
SCHEMBL794446 0.77 HCAR3 (0.44) USP2ALDH1A1LMNATSHRHCAR3
SCHEMBL13875589 0.77 USP2 (0.63) USP2ALDH1A1L3MBTL1LMNANPSR1
SCHEMBL29175741 0.76 L3MBTL1 (0.44) ALDH1A1L3MBTL1LMNAHCAR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 — — 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

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 USP2 1856/4885ALDH1A1 1138/4885L3MBTL1 4860/4885
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 USP2 1803/4885ALDH1A1 1178/4885L3MBTL1 4866/4885

“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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