SCHEMBL4602161

SCHEMBL4602161

COc1cccc(-c2ccc(OC3CCCC3)c(C(=O)O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.62
PDE4B Q07343 5/20 0.62
PDE4A P27815 4/20 0.62
PDE4C Q08493 4/20 0.62
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
DHODH Q02127 3/20 0.49
FPR2 P25090 2/20 0.47
HSD17B1 P14061 1/20 0.46
GRIK1 P39086 2/20 0.45
GRIA2 P42262 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SYK P43405 2/20 0.45

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
SCHEMBL4601485 0.85 PDE4A (0.58) PDE4DPDE4BPDE4APDE4CDHODH
SCHEMBL4600365 0.85 PDE4A (0.72) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL4603073 0.83 KDM4E (0.61) KDM4EPOLBDHODHHSD17B1ALDH1A1
SCHEMBL8203884 0.82 PDE4A (0.67) PDE4DPDE4BPDE4APDE4CFPR2
SCHEMBL4601471 0.81 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL4601185 0.81 PDE4A (0.64) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL8461658 0.80 PDE4D (0.71) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL8466183 0.79 PDE4A (0.74) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL4600716 0.78 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL8466532 0.77 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CPOLB

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 PDE4D 990/4885PDE4B 1807/4885PDE4A 1576/4885

“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.