SCHEMBL5122883

SCHEMBL5122883

COc1ccc(C(OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
AOC3 Q16853 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
ATM Q13315 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ACHE P22303 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LDHA P00338 1/20 0.49
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
ACP3 P15309 1/20 0.46
KLK7 P49862 1/20 0.46
GSK3B P49841 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL19714574 0.94 ATM (0.58) AOC3PPARGPPARAATMNPC1
SCHEMBL17892023 0.94 ATM (0.58) AOC3PPARGPPARAATMNPC1
SCHEMBL10964251 0.88 CNR2 (0.51) CNR2AOC3PPARGPPARAATM
SCHEMBL10964256 0.88 AOC3 (0.54) CNR2AOC3PPARGPPARAATM
SCHEMBL10584101 0.86 NR4A1 (0.57) PPARGPPARAFFAR1
SCHEMBL1586340 0.85 SLC1A3 (0.54) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9292657 0.84 CNR1 (0.48) CNR2PPARGPPARANPC1RAB9A
SCHEMBL8009506 0.84 MTNR1A (0.55) AOC3L3MBTL1FFAR1KMT2A
SCHEMBL19726540 0.84 ATM (0.60) CNR2ATMNPC1RAB9ACA1
SCHEMBL17901116 0.84 ATM (0.60) CNR2ATMNPC1RAB9ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107868091-B Meddigesin, derivatives thereof and preparation method thereof 怀特生技新药股份有限公司 2020-08-28 CN disclosed
CN-110950761-A Synthesis method of latamoxef 7-site side chain 山东金城柯瑞化学有限公司 2020-04-03 CN disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 US disclosed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP disclosed
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 EP disclosed
CN-1620457-A tetracyclic heterocyclic compounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2005-05-25 CN disclosed
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M (US) 2004-12-23 US disclosed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US disclosed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 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-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR CNR2 147/4885AOC3 2706/4885PPARG 103/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR CNR2 147/4885AOC3 2706/4885PPARG 103/4885

“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.