SCHEMBL4600519

SCHEMBL4600519

CCCCN(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PAX8 Q06710 2/20 0.46
TP53 P04637 2/20 0.46
GPX4 P36969 1/20 0.46
JAK2 O60674 1/20 0.44
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 2/20 0.42
HDAC1 Q13547 1/20 0.42
PKM P14618 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
OGG1 O15527 1/20 0.40
ADRB2 P07550 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL14229243 0.85 TP53 (0.56) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL15320269 0.84 TSHR (0.50) MTNR1AMTNR1BALDH1A1RAB9ATP53
SCHEMBL11346157 0.83 RAB9A (0.64) ALDH1A1NPC1RAB9APAX8TP53
SCHEMBL27955327 0.83 ALDH1A1 (0.48) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL1110303 0.82 LMNA (0.43) ALDH1A1NPC1RAB9APAX8TP53
SCHEMBL2892022 0.82 NPC1 (0.61) ALDH1A1NPC1RAB9APAX8TP53
SCHEMBL14200819 0.82 TP53 (0.47) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL11466189 0.79 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APAX8TP53
SCHEMBL2085399 0.78 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL894066 0.77 NPC1 (0.69) ALDH1A1NPC1RAB9APAX8TP53

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 3 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 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 MTNR1A 21/4885MTNR1B 45/4885ALDH1A1 3830/4885

“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.