SCHEMBL4504359

SCHEMBL4504359

CCCc1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
MAOB P27338 1/20 0.33
GCGR P47871 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL4495368 0.85 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2MAOBGCGR
SCHEMBL4504814 0.78 CETP (0.36) ALDH1A1MAOBGCGRKDM4ETP53
SCHEMBL4503613 0.77 CETP (0.34) ALDH1A1MAOBGCGRTP53RXFP1
SCHEMBL4500724 0.75 CETP (0.33) GCGRKDM4EHTT
SCHEMBL4508705 0.75 MAOB (0.39) ALDH1A1LMNASMN1; SMN2MAOBKDM4E
SCHEMBL4501365 0.72 MAOB (0.37) ALDH1A1LMNASMN1; SMN2MAOBGCGR
SCHEMBL4493258 0.71 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2MAOBKDM4E
SCHEMBL4505882 0.70 CETP (0.41) ALDH1A1MAOBGCGRTP53RXFP1
SCHEMBL4505879 0.70 CETP (0.41) ALDH1A1MAOBGCGRTP53RXFP1
SCHEMBL4505876 0.68 CETP (0.40) GCGRKDM4E

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-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 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-20090306197-A1 Substituted Chromanol Derivatives and Their Use CYP46A1, CBX3, CDYL ALDH1A1 1180/4885LMNA 98/4885SMN1; SMN2 2236/4885

“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.