SCHEMBL4017807

SCHEMBL4017807

COc1ccc2nc(-c3ccc(OC)c(OC)c3OC)cc(C(=O)O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ KDM4E B2RXH2 7/20 0.64
▸ POLB P06746 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ PLA2G2A P14555 3/20 0.55
▸ LMNA P02545 3/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ NPSR1 Q6W5P4 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
SCHEMBL3935413 0.83 KDM4E (0.68) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL3936014 0.83 KDM4E (0.68) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL14825176 0.80 KDM4E (0.73) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL9867576 0.79 KDM4E (0.84) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL4602262 0.78 KDM4E (0.68) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL4601004 0.78 KDM4E (0.67) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL4616538 0.78 KDM4E (0.67) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL3941759 0.77 KDM4E (0.60) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL245078 0.77 PLA2G2A (0.81) CYP2D6CYP2C9KDM4EPOLBMEN1
SCHEMBL4601819 0.77 KDM4E (0.67) CYP2D6CYP2C9KDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 — — EP claimed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 — — US claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 — — EP claimed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 — — EP claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — WO claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — WO claimed
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 — — EP disclosed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 — — US disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 — — EP disclosed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 — — EP disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — WO disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R CYP2D6 1009/4885CYP2C9 2456/4885KDM4E 2399/4885
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 CYP2D6 302/4885CYP2C9 411/4885KDM4E 3078/4885

“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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