SCHEMBL4941231

SCHEMBL4941231

CC(C)(C)c1ccc(-c2ccccc2C(=O)O)cc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
BRS3 P32247 3/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
RORB Q92753 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HNF4A P41235 1/20 0.41

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
SCHEMBL3128352 0.89 LTB4R2 (0.50) PPARGBRS3CDK4CCND1LTB4R2
SCHEMBL28440024 0.81 RORB (0.48) BRS3CDK4CCND1LTB4R2RORB
SCHEMBL23353984 0.77 TACR1 (0.48) BRS3LTB4R2HNF4A
SCHEMBL29979035 0.77 TACR1 (0.48) BRS3LTB4R2HNF4A
SCHEMBL6480249 0.77 TRPV1 (0.53) CDK4CCND1RORBNR1H4
SCHEMBL29971478 0.76 CDK4 (0.52) CDK4CCND1RORBNR1H4
SCHEMBL20504191 0.76 NR1H4 (0.52) PPARGRORBNR1H4AKR1C2AKR1C1
SCHEMBL294262 0.76 HNF4A (0.67) PPARGRORBNR1H4AKR1C2AKR1C1
SCHEMBL14102364 0.76 CDK4 (0.52) CDK4CCND1RORBNR1H4
SCHEMBL18759613 0.76 HNF4A (0.63) LTB4R2HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 PPARG 316/4885BRS3 2990/4885CDK4 3415/4885

“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.