SCHEMBL4490962

SCHEMBL4490962

COC(=O)[C@H](CC(=O)O)Cc1cc(C)c(OCc2ccccc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
LTA4H P09960 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.41
GLRA1 P23415 1/20 0.41

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
SCHEMBL4490964 1.00 LMNA (0.46) LMNAHPGDCPA1CPB1CPA3
SCHEMBL4490443 0.92 SMPD1 (0.43) LMNAHPGDCPA1CPB1CPA3
SCHEMBL4490445 0.92 SMPD1 (0.43) LMNAHPGDCPA1CPB1CPA3
SCHEMBL3522155 0.89 CPA1 (0.59) LMNAHPGDCPA1CPB1CPA3
SCHEMBL3522153 0.89 CPA1 (0.59) LMNAHPGDCPA1CPB1CPA3
SCHEMBL2086541 0.84 LMNA (0.49) LMNAHPGDFFAR4LTA4HL3MBTL1
SCHEMBL3525202 0.82 CPA1 (0.51) LMNAHPGDCPA1CPB1CPA3
SCHEMBL3525198 0.82 CPA1 (0.51) LMNAHPGDCPA1CPB1CPA3
SCHEMBL901408 0.81 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL2398335 0.81 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H

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
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
CN-101146799-A Cgrp-antagonists, process for their preparation as well as their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-03-19 CN 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 LMNA 1017/4885HPGD 446/4885CPA1 1041/4885

“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.