SCHEMBL3544435

SCHEMBL3544435

Cc1cc(/C=C(/C(=O)O)C(=O)OC(C)(C)C)cc(OCc2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 1/20 0.38
EDNRA P25101 1/20 0.37
APP P05067 3/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
LTA4H P09960 1/20 0.36
MCL1 Q07820 1/20 0.35
EGFR P00533 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGER1 P34995 1/20 0.35
POLB P06746 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3544436 1.00 NR1H4 (0.42) NR1H4KDM4EALDH1A1HPGDFFAR4
SCHEMBL13030974 0.81 ALDH1A1 (0.40) KDM4EALDH1A1HPGDFFAR4LMNA
SCHEMBL138676 0.79 NR1H4 (0.49) NR1H4ALDH1A1LMNAKMT2A
SCHEMBL138677 0.79 NR1H4 (0.49) NR1H4ALDH1A1LMNAKMT2A
SCHEMBL26080824 0.72 MEN1 (0.53) NR1H4ALDH1A1LMNACYP2C9KMT2A
SCHEMBL3543365 0.72 FFAR4 (0.42) FFAR4RXRARXRBRXRGMRGPRX4
SCHEMBL143636 0.70 NR1H4 (0.50) NR1H4ALDH1A1HPGDLMNAKMT2A
SCHEMBL143637 0.70 NR1H4 (0.50) NR1H4ALDH1A1HPGDLMNAKMT2A
SCHEMBL13030975 0.68 KLK5 (0.53) ALDH1A1LMNAKMT2A
SCHEMBL13241270 0.68 MEN1 (0.58) NR1H4ALDH1A1LMNACYP2C9KMT2A

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-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA NR1H4 694/4885KDM4E 4678/4885ALDH1A1 2552/4885

“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.