SCHEMBL5122876

SCHEMBL5122876

COc1ccc(CC(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.57
MTNR1B P49286 2/20 0.57
HSD17B10 Q99714 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 1/20 0.51
ABCB1 P08183 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
KDM4E B2RXH2 2/20 0.50
PPARA Q07869 1/20 0.50
CFD P00746 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
F11 P03951 1/20 0.50

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
SCHEMBL3813849 0.90 PTGER1 (0.54) HSD17B10L3MBTL1MAOBPTGER1PTGER4
SCHEMBL20954700 0.89 MTNR1A (0.58) MTNR1AMTNR1BHDAC8L3MBTL1TDP1
SCHEMBL21438534 0.89 HSD17B10 (0.68) MTNR1AMTNR1BHSD17B10HDAC8L3MBTL1
SCHEMBL1097150 0.89 L3MBTL1 (0.61) HSD17B10L3MBTL1TDP1MAOBPPARA
SCHEMBL28451865 0.87 HDAC8 (0.55) MTNR1AMTNR1BHDAC8L3MBTL1TDP1
SCHEMBL9077083 0.86 MTNR1B (0.60) MTNR1AMTNR1BHSD17B10POLB
SCHEMBL5779644 0.85 MAOB (0.57) MTNR1AMTNR1BHDAC8TDP1MAOB
SCHEMBL5042727 0.85 HDAC8 (0.53) MTNR1AMTNR1BHDAC8TDP1MAOB
SCHEMBL8965061 0.85 ABCB1 (0.50) MTNR1AMTNR1BHDAC8L3MBTL1TDP1
SCHEMBL17892024 0.84 ABCB1 (0.66) MTNR1AMTNR1BHSD17B10L3MBTL1ABCB1

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 18 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
US-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof PHYTOHEALTH CORPORATION (TW) 2019-08-20 US disclosed
US-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof PHYTOHEALTH CORPORATION (TW) 2019-08-20 US disclosed
CN-107868091-A Meddigesin, derivatives thereof and preparation method thereof 怀特生技新药股份有限公司 2018-04-03 CN disclosed
US-20180086772-A1 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF PHYTOHEALTH CORPORATION (TW) 2018-03-29 US disclosed
US-20180086772-A1 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF PHYTOHEALTH CORPORATION (TW) 2018-03-29 US disclosed
EP-3299373-A2 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF PhytoHealth Corporation (TW) 2018-03-28 EP 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
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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 (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-20180086772-A1 MEDICARPIN, ITS DERIVATIVES, MANUFACTURING METHOD THEREOF SHARPIN, TIPARP, MYADM MTNR1A 640/4885MTNR1B 266/4885HSD17B10 2729/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 MTNR1A 1225/4885MTNR1B 1038/4885HSD17B10 204/4885
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR MTNR1A 95/4885MTNR1B 149/4885HSD17B10 1359/4885
US-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof SHARPIN, ATP6V1B1, REN MTNR1A 1279/4885MTNR1B 431/4885HSD17B10 2165/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR MTNR1A 95/4885MTNR1B 149/4885HSD17B10 1359/4885

“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.