SCHEMBL4488445

SCHEMBL4488445

COC(=O)C(CC(=O)O)Cc1cc(C)c(O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MRE11 P49959 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 2/20 0.35
CPA1 P15085 2/20 0.35
CPB1 P15086 1/20 0.35
CPA3 P15088 1/20 0.35
CPB2 Q96IY4 1/20 0.35
FOLH1 Q04609 1/20 0.34
LTA4H P09960 2/20 0.34
HMGB1 P09429 1/20 0.34
CXCL12 P48061 1/20 0.34

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
SCHEMBL4488443 1.00 KMT2A (0.38) KMT2AMEN1MRE11L3MBTL1ALDH1A1
SCHEMBL4607364 0.90 KMT2A (0.40) KMT2AMEN1ALDH1A1CPA1CPB1
SCHEMBL3520494 0.86 CPB2 (0.49) KMT2AMEN1MRE11L3MBTL1CPA1
SCHEMBL3520496 0.86 CPB2 (0.49) KMT2AMEN1MRE11L3MBTL1CPA1
SCHEMBL4501949 0.83 KMT2A (0.36) KMT2AMEN1L3MBTL1ALDH1A1FFAR1
SCHEMBL4501945 0.83 KMT2A (0.36) KMT2AMEN1L3MBTL1ALDH1A1FFAR1
SCHEMBL5107901 0.80 ALDH1A1 (0.41) KMT2AMEN1MRE11ALDH1A1
SCHEMBL4490748 0.80 ALDH1A1 (0.41) KMT2AMEN1MRE11ALDH1A1
SCHEMBL14032563 0.80 ALDH1A1 (0.41) KMT2AMEN1MRE11ALDH1A1
Hydrochloric Acid SCHEMBL5107894 0.78 ALDH1A1 (0.43) KMT2AMEN1MRE11ALDH1A1

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 KMT2A 4813/4885MEN1 678/4885MRE11 2106/4885

“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.