SCHEMBL2520747

SCHEMBL2520747

CC=Cc1ccc(OC[C@@H](C)CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MTOR P42345 2/20 0.47
NPC1 O15118 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
GMNN O75496 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2520761 1.00 CYP3A4 (0.48) CYP3A4LMNATP53KDM4EALDH1A1
SCHEMBL2520743 1.00 CYP3A4 (0.48) CYP3A4LMNATP53KDM4EALDH1A1
SCHEMBL14422444 0.86 MTOR (0.51) CYP3A4LMNATP53KDM4EALDH1A1
SCHEMBL9470287 0.81 ALDH1A3 (0.52) CYP3A4LMNATP53KDM4EALDH1A1
SCHEMBL1992997 0.81 CHRNB2 (0.50) CYP3A4LMNATP53KDM4EALDH1A1
SCHEMBL8086432 0.80 THRB (0.55) CYP3A4TP53KDM4EALDH1A1MTOR
SCHEMBL8086431 0.80 THRB (0.55) CYP3A4TP53KDM4EALDH1A1MTOR
SCHEMBL10705795 0.77 FFAR1 (0.53) CYP3A4LMNAKDM4EALDH1A1TSHR
SCHEMBL10705801 0.77 FFAR1 (0.53) CYP3A4LMNAKDM4EALDH1A1TSHR
SCHEMBL10601858 0.77 RELA (0.68) CYP3A4LMNATP53KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486011-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-8304577-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-2486011-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 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-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 CYP3A4 4721/4885LMNA 4505/4885TP53 4352/4885

“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.