SCHEMBL4601545

SCHEMBL4601545

Cc1ccc(C(=O)O)cc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.51
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXRA P19793 3/20 0.42
RARA P10276 1/20 0.42
MAPK14 Q16539 4/20 0.40
MPL P40238 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RARB P10826 1/20 0.40

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
SCHEMBL4601444 0.87 RARB (0.49) LMNAHSD17B10MAPK1HTTRAB9A
SCHEMBL18152481 0.85 GRIK1 (0.57) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2745136 0.81 BCL2L1 (0.58) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL11491972 0.81 RXRA (0.61) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL15419853 0.81 RARB (0.51) LMNAHSD17B10MAPK1HTTRAB9A
SCHEMBL4603074 0.80 GRIK1 (0.62) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2744239 0.79 LMNA (0.68) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2744081 0.79 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL15420187 0.78 RARB (0.52) LMNAHSD17B10MAPK1HTTRAB9A
SCHEMBL2744691 0.78 RXRB (0.61) GRIK1GRIA1GRIA2GRIA3GRIA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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 GRIK1 1107/4885GRIA1 1124/4885GRIA2 982/4885

“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.