SCHEMBL4601459

SCHEMBL4601459

COc1ccc(-c2ccc3c(c2)OCO3)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
ERN1 O75460 1/20 0.54
CFD P00746 1/20 0.53
EDNRB P24530 2/20 0.52
EDNRA P25101 2/20 0.52
NPC1 O15118 3/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 3/20 0.50
CTNNB1 P35222 2/20 0.50
MEN1 O00255 2/20 0.50
WNT3A P56704 1/20 0.50
ALDH1A1 P00352 1/20 0.50
FABP7 O15540 1/20 0.49
FABP3 P05413 1/20 0.49
FABP5 Q01469 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4601029 0.85 CFD (0.49) TSHRCFDEDNRBEDNRANPC1
SCHEMBL2769498 0.83 CFD (0.67) CFDNPC1MAPTRAB9AHSD17B10
SCHEMBL4600641 0.81 KDM4E (0.48) TSHRERN1EDNRBEDNRANPC1
SCHEMBL4602098 0.80 PDE4A (0.48) TSHRCFDNPC1TP53NPSR1
SCHEMBL6215960 0.80 HPGD (0.53) TSHRNPC1TP53MAPTRAB9A
SCHEMBL7804542 0.80 CFD (0.47) TSHRERN1CFDEDNRBEDNRA
SCHEMBL4600656 0.78 CFD (0.61) TSHRERN1CFDNPC1RAB9A
SCHEMBL3996761 0.77 MCL1 (0.59) CFDALDH1A1FABP3FABP5KDM4E
SCHEMBL27885546 0.75 SMN1; SMN2 (0.58) CFDMAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL7384377 0.75 MAPT (0.62) TSHRNPC1TP53MAPTRAB9A

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 TSHR 122/4885ERN1 4704/4885CFD 1224/4885

“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.