SCHEMBL908975

SCHEMBL908975

CC(C)(C)[Si](OCC[C@H](O)[C@@H](C(=O)OCc1ccccc1)c1cc(F)c(F)c(F)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
ABCB1 P08183 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
TACR1 P25103 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
GLRA1 P23415 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL908364 1.00 ALDH1A1 (0.32) ALDH1A1CYP3A4HTTSMN1; SMN2POLB
SCHEMBL3135181 0.88 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2HPGD
SCHEMBL3139064 0.88 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2HPGD
SCHEMBL3135186 0.88 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2HPGD
SCHEMBL908387 0.86 ABCB1 (0.35) CYP3A4ABCB1
SCHEMBL14296506 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4HTTSMN1; SMN2POLB
SCHEMBL908366 0.77 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2
SCHEMBL908976 0.77 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2
SCHEMBL17268485 0.76 LTA4H (0.42) ALDH1A1SMN1; SMN2POLB
SCHEMBL3134124 0.75 CYP3A4 (0.34) CYP3A4HTTSMN1; SMN2

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-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 ALDH1A1 1741/4885CYP3A4 1991/4885HTT 10/4885

“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.