SCHEMBL4500460

SCHEMBL4500460

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(=O)c1ccc(C(C)(C)C)cc1)C(=O)CC1(CCC1)O2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
ACACA Q13085 2/20 0.33
ACACB O00763 3/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.32
SSTR5 P35346 2/20 0.31
DHODH Q02127 1/20 0.31
ATM Q13315 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
SCHEMBL4500440 0.93 ESR1 (0.37) KDM4EACACAACACBSSTR5
SCHEMBL4493258 0.89 ALDH1A1 (0.35) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL4504805 0.88 HSD11B1 (0.34) KDM4EALDH1A1KMT2AACACBSSTR5
SCHEMBL4501187 0.83 CETP (0.37) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL4500724 0.83 CETP (0.33) KDM4EHTTACACASSTR5ATM
SCHEMBL4493596 0.82 CETP (0.39) KDM4EHTTACACAATM
SCHEMBL4496175 0.82 ESR1 (0.38) MAPTALDH1A1LMNANPSR1ACACA
SCHEMBL4496170 0.77 KDM4E (0.36) KDM4EALDH1A1HTTATM
SCHEMBL4510775 0.77 CETP (0.44)
SCHEMBL4505876 0.76 CETP (0.40) KDM4EACACAACACB

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 7 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-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 US disclosed
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
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 WO 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 MAPT 4404/4885KDM4E 1772/4885ALDH1A1 1180/4885

“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.