Sugi Predict

Sugi Predict / Compounds / SCHEMBL4496175

SCHEMBL4496175

SCHEMBL4496175

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.38
▸ TP53 P04637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ CETP P11597 3/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32

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
SCHEMBL4493258 0.93 ALDH1A1 (0.35) TP53ALDH1A1LMNAMAPTTSHR
SCHEMBL4500440 0.89 ESR1 (0.37) ESR1CETPMCHR1ACACBACACA
SCHEMBL4496169 0.88 SMN1; SMN2 (0.38) TP53ALDH1A1LMNAMAPTTSHR
SCHEMBL4502078 0.83 CETP (0.39) ESR1TP53BACE1CETP
SCHEMBL4504814 0.83 CETP (0.36) TP53ALDH1A1MAPTRXFP1MAOB
SCHEMBL4506276 0.82 LMNA (0.34) TP53ALDH1A1LMNAMAPTTSHR
SCHEMBL4500460 0.82 MAPT (0.34) TP53ALDH1A1LMNAMAPTNPSR1
SCHEMBL4491513 0.82 CETP (0.41) ESR1CETPKCNH2PTGS1PTGS2
SCHEMBL4505879 0.81 CETP (0.41) TP53ALDH1A1RXFP1MAOBCETP
SCHEMBL4505882 0.81 CETP (0.41) TP53ALDH1A1RXFP1MAOBCETP

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 9 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
EP-1999123-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-12-10 — — EP disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 — — WO 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 ESR1 499/4885TP53 1763/4885ALDH1A1 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.