SCHEMBL4601385

SCHEMBL4601385

COc1ccc2nc(-c3cccc(O)c3)cc(C(=O)O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
AKR1C3 P42330 1/20 0.67
AKR1C2 P52895 1/20 0.67
AKR1C1 Q04828 1/20 0.67
PLA2G2A P14555 4/20 0.65
MAPT P10636 4/20 0.63
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HPGD P15428 2/20 0.63
LMNA P02545 2/20 0.63
NPC1 O15118 1/20 0.63
NFKB1 P19838 1/20 0.63
RAB9A P51151 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
ATM Q13315 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HSD17B10 Q99714 4/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 3/20 0.56

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
SCHEMBL4600353 0.91 KDM4E (0.71) KDM4EPLA2G2AMAPTALDH1A1SMN1; SMN2
SCHEMBL245078 0.89 PLA2G2A (0.81) KDM4EPLA2G2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7823061 0.86 KDM4E (0.79) KDM4EPLA2G2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3015115 0.86 AKR1C3 (0.79) KDM4EAKR1C3AKR1C2AKR1C1MAPT
SCHEMBL4601656 0.85 PLA2G2A (0.64) KDM4EPLA2G2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7813091 0.83 MAPT (0.70) KDM4EAKR1C3AKR1C2PLA2G2AMAPT
SCHEMBL4602262 0.81 KDM4E (0.68) KDM4EPLA2G2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1897330 0.81 KDM4E (0.79) KDM4EAKR1C3AKR1C2AKR1C1MAPT
Benzaldehyde SCHEMBL22471923 0.81 PLA2G2A (0.69) KDM4EPLA2G2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4614391 0.80 AKR1C3 (1.00) KDM4EAKR1C3AKR1C2AKR1C1MAPT

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
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP 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-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP 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 (1 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 KDM4E 2399/4885AKR1C3 651/4885AKR1C2 921/4885

“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.