SCHEMBL2086545

SCHEMBL2086545

Cc1cc(CC(C)(O)C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
PTPN1 P18031 1/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
FFAR1 O14842 1/20 0.42
GLRA1 P23415 1/20 0.42
MAOB P27338 2/20 0.42
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 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
SCHEMBL2086547 1.00 FFAR4 (0.45) FFAR4PTPN1LMNAHPGDFFAR1
SCHEMBL2086118 0.91 PTGER4 (0.43) FFAR4PTPN1LMNAHPGDFFAR1
SCHEMBL1207297 0.91 MRGPRX4 (0.51) FFAR4PTPN1LMNAHPGDGLRA1
SCHEMBL2086116 0.91 PTGER4 (0.43) FFAR4PTPN1LMNAHPGDFFAR1
SCHEMBL1207300 0.91 MRGPRX4 (0.51) FFAR4PTPN1LMNAHPGDGLRA1
SCHEMBL2088361 0.90 FFAR4 (0.43) FFAR4PTPN1LMNAHPGDMRGPRX4
SCHEMBL2088362 0.90 FFAR4 (0.43) FFAR4PTPN1LMNAHPGDMRGPRX4
SCHEMBL2164933 0.78 PPARG (0.58) FFAR4LMNAFFAR1MAOBL3MBTL1
SCHEMBL2164934 0.78 PPARG (0.58) FFAR4LMNAFFAR1MAOBL3MBTL1
SCHEMBL7705084 0.78 LMNA (0.46) FFAR4PTPN1LMNAHPGDFFAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985747-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-26 US disclosed
US-7897603-B2 Selected CGRP-antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 US disclosed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 US disclosed
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 (3 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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA FFAR4 1199/4885PTPN1 4146/4885LMNA 687/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA FFAR4 918/4885PTPN1 3936/4885LMNA 1017/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA FFAR4 1199/4885PTPN1 4146/4885LMNA 687/4885

“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.