SCHEMBL2086116

SCHEMBL2086116

CCc1cc(CC(C)(O)C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
PTGER1 P34995 1/20 0.43
FFAR4 Q5NUL3 2/20 0.41
PTPN1 P18031 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
MAOB P27338 3/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GLRA1 P23415 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NR4A2 P43354 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL2086118 1.00 PTGER4 (0.43) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL2086545 0.91 FFAR4 (0.45) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL2086547 0.91 FFAR4 (0.45) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL1207300 0.85 MRGPRX4 (0.51) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL1207297 0.85 MRGPRX4 (0.51) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL2088362 0.84 FFAR4 (0.43) FFAR4PTPN1MRGPRX4LMNAHPGD
SCHEMBL2088361 0.84 FFAR4 (0.43) FFAR4PTPN1MRGPRX4LMNAHPGD
SCHEMBL2086179 0.79 PTGER4 (0.45) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL262674 0.78 MEN1 (0.56) PTGER4PTGER3PTGER2PTGER1PTPN1
SCHEMBL7637040 0.77 LMNA (0.49) PTGER4PTGER3PTGER2PTGER1FFAR4

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-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-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 PTGER4 333/4885PTGER3 305/4885PTGER2 409/4885

“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.