SCHEMBL3525202

SCHEMBL3525202

COc1cc(CC(CC(=O)O)C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.51
CPB1 P15086 1/20 0.51
CPA3 P15088 1/20 0.51
CPB2 Q96IY4 1/20 0.51
FOLH1 Q04609 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MME P08473 1/20 0.40

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
SCHEMBL3525198 1.00 CPA1 (0.51) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL4490445 0.91 SMPD1 (0.43) CPA1CPB1CPA3CPB2FFAR4
SCHEMBL4490443 0.91 SMPD1 (0.43) CPA1CPB1CPA3CPB2FFAR4
SCHEMBL3522155 0.91 CPA1 (0.59) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3522153 0.91 CPA1 (0.59) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL2086119 0.85 FFAR4 (0.43) FFAR4PTPN1MEN1ALDH1A1KMT2A
SCHEMBL2086121 0.85 FFAR4 (0.43) FFAR4PTPN1MEN1ALDH1A1KMT2A
SCHEMBL4490962 0.82 LMNA (0.46) CPA1CPB1CPA3CPB2FFAR4
SCHEMBL4490964 0.82 LMNA (0.46) CPA1CPB1CPA3CPB2FFAR4
SCHEMBL2088358 0.81 LMNA (0.44) FFAR4PTPN1MEN1ALDH1A1MAPK1

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-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7696209-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 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 (2 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPA1 1052/4885CPB1 3147/4885CPA3 635/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPA1 1041/4885CPB1 3146/4885CPA3 686/4885

“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.