SCHEMBL4507779

SCHEMBL4507779

C[C@@](O)(Cc1ccc(O)c(Br)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
BLM P54132 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
EGFR P00533 1/20 0.50
FYN P06241 1/20 0.50
GAA P10253 1/20 0.50
APEX1 P27695 1/20 0.50
ADRA1A P35348 1/20 0.50
PTGS2 P35354 1/20 0.50
MTOR P42345 1/20 0.50

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
SCHEMBL4507776 1.00 ALOX15 (0.50) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL2166173 0.84 HPGD (0.41) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL2166179 0.84 HPGD (0.41) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL6342898 0.83 ALOX15 (0.74) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL6342572 0.83 ALOX15 (0.74) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL6717672 0.83 ALOX15 (0.74) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL2164017 0.81 TSHR (0.46) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL2164015 0.81 TSHR (0.46) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL8589223 0.78 ALDH1A1 (0.44) ALOX15KDM4EALDH1A1CYP1A2POLB
SCHEMBL31513490 0.78 TSHR (0.60) ALDH1A1CYP1A2CYP3A4TDP1GAA

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 ALOX15 3029/4885KDM4E 4568/4885ALDH1A1 1872/4885

“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.