SCHEMBL3942875

SCHEMBL3942875

CC(C)C(C)C(C)(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 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
SCHEMBL284728 0.77 TSHR (0.40) TSHRALDH1A1TP53SLC7A5CYP2D6
SCHEMBL14387795 0.77 TSHR (0.40) TSHRALDH1A1TP53SLC7A5CYP2D6
SCHEMBL2230034 0.75 ALDH1A1 (0.44) TSHRALDH1A1TP53SLC7A5CYP2D6
SCHEMBL9527915 0.74 TSHR (0.38) TSHRALDH1A1TP53SLC7A5CYP2D6
SCHEMBL28315772 0.73 ALDH1A1 (0.42) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL21269260 0.73 ALDH1A1 (0.42) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL21268834 0.73 ALDH1A1 (0.42) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL21269388 0.73 ALDH1A1 (0.42) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL28315892 0.73 ALDH1A1 (0.42) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL28315846 0.73 ALDH1A1 (0.42) TSHRALDH1A1TP53CYP2D6CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 US disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US disclosed
EP-0019578-B1 PIPERIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND POLYMER COMPOSITIONS CONTAINING THEM Chimosa Chimica Organica S.p.A. (IT) 1983-03-30 EP disclosed
EP-0019578-A1 Piperidine derivatives, process for preparing them and polymer compositions containing them Chimosa Chimica Organica S.p.A. (IT) 1980-11-26 EP 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-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES BACE1, BACE2, APH1B TSHR 4173/4885ALDH1A1 795/4885TP53 328/4885

“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.