SCHEMBL4507771

SCHEMBL4507771

CC(c1ccc(O)c(Br)c1)C(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 7/20 0.44
KDM4E B2RXH2 6/20 0.44
TDP1 Q9NUW8 6/20 0.44
MAPT P10636 4/20 0.44
HSD17B10 Q99714 4/20 0.44
TSHR P16473 4/20 0.44
POLB P06746 3/20 0.44
NFKB1 P19838 3/20 0.44
HIF1A Q16665 3/20 0.44
PMP22 Q01453 3/20 0.44
GAA P10253 3/20 0.44
ADRB2 P07550 3/20 0.44
LMNA P02545 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
CYP1A2 P05177 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 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
SCHEMBL2166168 0.83 S1PR1 (0.38) BLMKDM4ETDP1MAPTHSD17B10
SCHEMBL2164010 0.81 TTR (0.44) BLMKDM4ETDP1MAPTHSD17B10
SCHEMBL1202580 0.81 AKR1C3 (0.47) TSHRGAACYP1A2MEN1KMT2A
SCHEMBL11463161 0.79 AKR1C3 (0.49) BLMKDM4ETDP1MAPTHSD17B10
SCHEMBL9987909 0.79 BLM (0.57) BLMKDM4ETDP1MAPTHSD17B10
SCHEMBL9987910 0.79 BLM (0.57) BLMKDM4ETDP1MAPTHSD17B10
SCHEMBL13359729 0.78 ALOX15 (0.46) BLMKDM4ETDP1MAPTHSD17B10
SCHEMBL2175085 0.77 CYP1A2 (0.46) KDM4EPOLBLMNACYP1A2KMT2A
SCHEMBL23693310 0.76 ALOX15 (0.48) BLMKDM4ETDP1MAPTHSD17B10
SCHEMBL27823628 0.75 MET (0.47) KDM4EHIF1AGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA BLM 2416/4885KDM4E 4568/4885TDP1 1021/4885

“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.