Sugi Predict

Sugi Predict / Compounds / SCHEMBL4510672

SCHEMBL4510672

SCHEMBL4510672

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1Cc1ccc(C(F)(F)F)cc1)[C@@H](O)CC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 9/20 0.39
▸ AR P10275 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ LTB4R Q15722 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CASR P41180 1/20 0.31
▸ TLR3 O15455 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
SCHEMBL4508924 0.93 GCGR (0.33) CETPGCGRCNR1CNR2TLR3
SCHEMBL4517516 0.89 CETP (0.42) CETPARGCGRLTB4RLTB4R2
SCHEMBL4500622 0.89 CTSD (0.37) CETP
SCHEMBL4721981 0.89 CTSD (0.37) CETP
SCHEMBL4503553 0.82 CETP (0.53) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4503562 0.82 CETP (0.53) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4491513 0.82 CETP (0.41) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4508331 0.82 CETP (0.46) CETPGCGRKCNH2PTGS1PTGS2
SCHEMBL4493423 0.82 CETP (0.46) CETPGCGRKCNH2PTGS1PTGS2
SCHEMBL4493429 0.82 CETP (0.46) CETPGCGRKCNH2PTGS1PTGS2

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 CETP 108/4885AR 800/4885GCGR 215/4885

“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.