SCHEMBL4601307

SCHEMBL4601307

COc1ccc(-c2cc(C(=O)O)cc(C)n2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMO O15229 3/20 0.44
CTRC Q99895 1/20 0.44
PDE4B Q07343 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 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
SCHEMBL4601245 0.79 RAB9A (0.52) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL3643490 0.77 LMNA (0.75) RAB9ALMNAMAPK1HTTKDM4E
SCHEMBL30595083 0.77 LMNA (0.75) RAB9ALMNAMAPK1HTTKDM4E
SCHEMBL5149280 0.76 LMNA (0.69) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL16706636 0.75 CTRC (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL28448922 0.75 RAB9A (0.50) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL4384447 0.75 ALPL (0.64) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL14919880 0.75 SCN9A (0.64)
SCHEMBL15256614 0.75 ALDH1A1 (0.55) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL4602311 0.74 KDM4E (0.62) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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 RAB9A 2725/4885LMNA 3198/4885MAPK1 3998/4885

“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.