SCHEMBL4509977

SCHEMBL4509977

CCCc1cc2c(c(-c3ccc(F)cc3)c1C=O)C(=O)CC1(CCC1)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ATM Q13315 2/20 0.34
HTT P42858 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC5 Q9UQL6 3/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4508705 0.87 MAOB (0.39) KDM4EHTTALDH1A1HPGD
SCHEMBL4496170 0.82 KDM4E (0.36) KDM4EATMHTTSIGMAR1HDAC3
SCHEMBL4507388 0.81 KDM4E (0.36) KDM4EATMHTTHDAC3HDAC4
SCHEMBL4502467 0.76 ALDH1A1 (0.39) KDM4EHTTSIGMAR1ALDH1A1HPGD
SCHEMBL4499404 0.68 ALDH1A1 (0.39) KDM4EHTTALDH1A1HPGD
SCHEMBL4507210 0.64 CETP (0.46) KDM4EATMHTTKCNH2
SCHEMBL4500440 0.64 ESR1 (0.37) KDM4ESSTR5
SCHEMBL4500460 0.64 MAPT (0.34) KDM4EATMHTTALDH1A1SSTR5
SCHEMBL4493596 0.64 CETP (0.39) KDM4EATMHTT
SCHEMBL4473238 0.64 KDM4E (0.43) KDM4EATMHTTHDAC3HDAC4

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 KDM4E 1772/4885ATM 1473/4885HTT 1918/4885

“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.