SCHEMBL861395

SCHEMBL861395

CCCCC(O)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CA2 P00918 4/20 0.41
CA1 P00915 2/20 0.41
MAPK1 P28482 1/20 0.40
GPR84 Q9NQS5 5/20 0.39
FFAR1 O14842 1/20 0.39
PRKCA P17252 2/20 0.39
TSHR P16473 1/20 0.39
FAAH O00519 1/20 0.37
FDPS P14324 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL9250546 0.93 GPR84 (0.47) ALDH1A1CA1GPR84FFAR1PRKCA
SCHEMBL11785027 0.91 GPR84 (0.50) GPR84FFAR1PRKCAFAAH
SCHEMBL11782571 0.91 GPR84 (0.50) GPR84FFAR1PRKCAFAAH
SCHEMBL8666568 0.91 GPR84 (0.50) GPR84FFAR1PRKCAFAAH
SCHEMBL11784604 0.91 GPR84 (0.50) GPR84FFAR1PRKCAFAAH
SCHEMBL11782858 0.91 GPR84 (0.50) GPR84FFAR1PRKCAFAAH
SCHEMBL6468137 0.91 GPR84 (0.50) GPR84FFAR1PRKCAFAAH
SCHEMBL11778914 0.91 GPR84 (0.50) GPR84FFAR1PRKCAFAAH
SCHEMBL11782957 0.91 GPR84 (0.50) GPR84FFAR1PRKCAFAAH
Methoxymethane SCHEMBL3379495 0.90 GPR84 (0.44) CA1GPR84FFAR1PRKCAFAAH

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 18 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 disclosed
EP-2222645-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-20 EP disclosed
US-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 US 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
US-7825258-B2 Methyl-benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2222645-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2010-09-01 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
EP-2078020-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
WO-2009062874-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-22 WO disclosed
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-05-21 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
WO-2008124848-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-5132452-A Platinum or palladium catalyst with bismuth in an alkaline solution supported on charcoal DEGUSSA AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
EP-0151498-B1 PROCESS FOR THE PREPARATION OF 2-KETO-ALDONIC ACIDS AKZO N.V. (NL) 1989-04-19 EP disclosed
US-4620034-A Process for the preparation of 2-keto-aldonic acids AKZO NV (NL) 1986-10-28 US disclosed
EP-0151498-A2 Process for the preparation of 2-keto-aldonic acids AKZO N.V. (NL) 1985-08-14 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 (3 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-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 ALDH1A1 4191/4885CA2 4141/4885CA1 4824/4885
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 ALDH1A1 154/4885CA2 1058/4885CA1 4270/4885
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES CYP2B6, CYP3A4, CYP2C19 ALDH1A1 57/4885CA2 1174/4885CA1 4354/4885

“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.