SCHEMBL826010

SCHEMBL826010

O=C(O)C1(Oc2[c]cccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.35
CYP3A4 P08684 4/20 0.33
MAPK1 P28482 3/20 0.33
CYP2C19 P33261 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL3549017 0.92 AKR1C1 (0.40) AKR1C1MEN1KMT2ANPSR1
SCHEMBL27142106 0.75 AKR1C1 (0.41) AKR1C1CYP3A4MAPK1CYP2C19MEN1
SCHEMBL3542721 0.74 CYP3A4 (0.38) CYP3A4MAPK1CYP2C19MEN1KMT2A
SCHEMBL3550933 0.71 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7261346 0.71 L3MBTL1 (0.35) KMT2ATSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL22201 0.69
SCHEMBL31117363 0.68 CTSK (0.44) AKR1C1CYP3A4MAPK1CYP2C19TSHR
SCHEMBL3452541 0.68
SCHEMBL31117786 0.68 CTSK (0.39) AKR1C1CYP3A4MAPK1CYP2C19TSHR
SCHEMBL26128678 0.68 CXCL8 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350022-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP claimed
US-8143422-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US claimed
EP-2350022-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP claimed
WO-2010043513-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-22 WO claimed
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-04-15 US claimed
EP-2350022-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8143422-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2350022-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
WO-2010043513-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-22 WO disclosed
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-04-15 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-20100093818-A1 BENZIMIDAZOLE DERIVATIVES CYP2B6, CYP3A4, CYP2C19 AKR1C1 268/4885CYP3A4 2/4885MAPK1 2808/4885

“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.