SCHEMBL4517557

SCHEMBL4517557

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(=O)c1ccc(OC(F)(F)F)cc1)[C@H](O)CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
HSD11B1 P28845 3/20 0.34
P2RY1 P47900 2/20 0.34
CETP P11597 1/20 0.33
IDH1 O75874 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL4508998 1.00 CTSD (0.37) CTSDBACE1MEN1KMT2ASMN1; SMN2
SCHEMBL4510222 0.92 CYP11B1 (0.36) CTSDBACE1MEN1KMT2AHCRTR1
SCHEMBL27762201 0.90 CTSD (0.36) CTSDBACE1MEN1KMT2ASMN1; SMN2
SCHEMBL4512205 0.89 HSD11B1 (0.36) MEN1KMT2ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL4491513 0.89 CETP (0.41) CETP
SCHEMBL4497300 0.87 CETP (0.34) MEN1KMT2ASMN1; SMN2CETP
SCHEMBL4507659 0.87 CETP (0.34) MEN1KMT2ASMN1; SMN2CETP
SCHEMBL4517595 0.83 CETP (0.36) CTSDBACE1MEN1KMT2ASMN1; SMN2
SCHEMBL4500622 0.83 CTSD (0.37) CTSDBACE1HCRTR1HCRTR2CETP
SCHEMBL4721981 0.83 CTSD (0.37) CTSDBACE1HCRTR1HCRTR2CETP

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 2 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-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US 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 CTSD 488/4885BACE1 1941/4885MEN1 1760/4885

“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.