SCHEMBL4501885

SCHEMBL4501885

Cc1cc(C(C)C(O)C(=O)O)cc2oc(=O)n(C)c12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KMO O15229 2/20 0.32
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL3351533 0.74 ACACB (0.47) ACACBALDH1A1HPGDMEN1KMT2A
SCHEMBL3351541 0.74 ACACB (0.47) ACACBALDH1A1HPGDMEN1KMT2A
SCHEMBL4497893 0.73 SYK (0.35) ALDH1A1HPGDKDM4E
SCHEMBL16435008 0.71 ACACB (0.43) ACACBALDH1A1HPGDMEN1KMT2A
SCHEMBL2163983 0.69 HTR2B (0.39) ALDH1A1KDM4E
SCHEMBL2165249 0.69 KDM4E (0.39) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL3352484 0.68 ACACB (0.43) ACACBALDH1A1HPGDMEN1KMT2A
SCHEMBL10187968 0.67 ACACB (0.39) ACACBALDH1A1HPGDMEN1KMT2A
SCHEMBL1285654 0.67 ACACB (0.39) ACACBALDH1A1HPGDMEN1KMT2A
SCHEMBL1285780 0.67 ALDH1A1 (0.41) ACACBALDH1A1HPGDMEN1KMT2A

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 ACACB 4862/4885ALDH1A1 1872/4885HPGD 446/4885

“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.