SCHEMBL4600417

SCHEMBL4600417

CCOc1ccc(-c2cccc(-c3ccccc3)c2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.60
ACMSD Q8TDX5 2/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
LMNA P02545 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
KMT2A Q03164 1/20 0.52
CFD P00746 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DHFR P00374 1/20 0.50
HNF4A P41235 1/20 0.50
MCL1 Q07820 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
IDO1 P14902 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
ADRB1 P08588 1/20 0.46

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
SCHEMBL4603368 0.97 PTPN11 (0.59) PTPN11ACMSDRXRARXRBLMNA
SCHEMBL2771810 0.91 CFD (0.61) PTPN11RXRARXRBLMNAPTPN1
SCHEMBL4601726 0.88 PTPN11 (0.68) PTPN11ACMSDRXRARXRBPTPN1
SCHEMBL4601409 0.88 PTPN11 (0.57) PTPN11RXRARXRBLMNAPTPN1
SCHEMBL5149300 0.88 PTPN11 (0.76) PTPN11RXRARXRBLMNAPTPN1
SCHEMBL4602172 0.87 PTPN11 (0.56) PTPN11RXRARXRBLMNAPTPN1
SCHEMBL4602328 0.87 PTPN11 (0.56) PTPN11RXRARXRBLMNAPTPN1
SCHEMBL4602041 0.86 PTPN11 (0.57) PTPN11RXRARXRBLMNAPTPN1
SCHEMBL5151569 0.86 PTPN11 (0.65) PTPN11RXRARXRBLMNAKMT2A
SCHEMBL4601902 0.86 ACMSD (0.62) PTPN11ACMSDRXRARXRBPTPN1

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 PTPN11 3529/4885ACMSD 1330/4885RXRA 1256/4885

“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.