SCHEMBL4601409

SCHEMBL4601409

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.57
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
CFD P00746 1/20 0.49
IDO1 P14902 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DHODH Q02127 2/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
SLC6A9 P48067 1/20 0.47
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MCL1 Q07820 1/20 0.45
CTSA P10619 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL4601762 0.89 PTPN11 (0.65) PTPN11AKR1C2AKR1C1CFDDHODH
SCHEMBL4600417 0.88 PTPN11 (0.60) PTPN11RXRARXRBCFDIDO1
SCHEMBL4603368 0.88 PTPN11 (0.59) PTPN11RXRARXRBCFDIDO1
SCHEMBL2771810 0.88 CFD (0.61) PTPN11RXRARXRBCFDIDO1
SCHEMBL4602041 0.87 PTPN11 (0.57) PTPN11AKR1C2AKR1C1RXRARXRB
SCHEMBL5149300 0.86 PTPN11 (0.76) PTPN11RXRARXRBTSHRPTPN1
SCHEMBL4602172 0.84 PTPN11 (0.56) PTPN11RXRARXRBCFDTSHR
SCHEMBL4602328 0.84 PTPN11 (0.56) PTPN11RXRARXRBCFDTSHR
SCHEMBL5151569 0.83 PTPN11 (0.65) PTPN11RXRARXRBCFDKMT2A
SCHEMBL4601902 0.83 ACMSD (0.62) PTPN11RXRARXRBCFDTSHR

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 3529/4885AKR1C2 921/4885AKR1C1 897/4885

“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.