Sugi Predict

Sugi Predict / Compounds / SCHEMBL4497013

SCHEMBL4497013

SCHEMBL4497013

CC(C)c1cc2c(c(C3CCCC3)c1Cc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 12/20 0.41
▸ RAB9A P51151 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TRPV1 Q8NER1 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
SCHEMBL4493675 0.81 CETP (0.46) CETPALDH1A1PDE2ATP53
SCHEMBL4510702 0.81 CETP (0.52) CETP
SCHEMBL27762200 0.80 CETP (0.42) CETPPDE2ATRPV1
SCHEMBL4504810 0.72 CETP (0.45) CETP
SCHEMBL4500649 0.71 CETP (0.46) CETPPDE2ATRPV1
SCHEMBL4659022 0.71 MAOB (0.38) RAB9AALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL4510672 0.70 CETP (0.39) CETPTRPV1
SCHEMBL4504814 0.69 CETP (0.36) CETPALDH1A1KDM4EMAOBTP53
SCHEMBL4721076 0.69 CETP (0.40) CETP
SCHEMBL4497472 0.69 ALDH1A1 (0.33) CETPRAB9AALDH1A1NPC1LMNA

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 CETP 108/4885RAB9A 2455/4885ALDH1A1 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.