SCHEMBL3593898

SCHEMBL3593898

O=C(O)CCC1CCOc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
KCNH2 Q12809 2/20 0.41
EGFR P00533 2/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
PSMB5 P28074 1/20 0.38
SSTR4 P31391 1/20 0.38

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
SCHEMBL29960400 1.00 HTT (0.49) HTTKCNH2EGFRPTGDR2PPARG
SCHEMBL29960528 0.86 PPARD (0.46) PTGDR2PPARGPPARD
SCHEMBL8143471 0.86 PPARD (0.46) PTGDR2PPARGPPARD
SCHEMBL27815880 0.82 KCNH2 (0.40) KCNH2PTGDR2KDM4CPSMB5SSTR4
SCHEMBL29960346 0.81 KCNH2 (0.44) HTTKCNH2SSTR4
SCHEMBL5174865 0.81 KCNH2 (0.44) HTTKCNH2SSTR4
SCHEMBL27471820 0.80 MTNR1A (0.45) KCNH2PTGDR2SSTR4
SCHEMBL8484902 0.79 KCNH2 (0.43) KCNH2PTGDR2KDM4CPSMB5SSTR4
SCHEMBL29960536 0.78 KCNH2 (0.44) HTTKCNH2
SCHEMBL9772853 0.78 KCNH2 (0.44) HTTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 HTT 4428/4885KCNH2 2915/4885EGFR 1490/4885

“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.