SCHEMBL711840

SCHEMBL711840

O=C(OCC1OCC2(CC2)CO1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 1/20 0.43
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PPM1B O75688 1/20 0.41
LMNA P02545 1/20 0.41
CES2 O00748 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL172378 0.84 TDP1 (0.52) MAPK1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL21998228 0.79 TDP1 (0.46) MAPK1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL23808024 0.79 TDP1 (0.46) MAPK1CHRNB2CHRNA5CHRNA7CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL14570069 0.74 NPC1 (0.56) MAPK1CHRNB2CHRNA5CHRNA7CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 0.74 NPC1 (0.56) MAPK1CHRNB2CHRNA5CHRNA7CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 0.74 NPC1 (0.56) MAPK1CHRNB2CHRNA5CHRNA7CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 0.74 NPC1 (0.56) MAPK1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL1931720 0.73 PPM1B (0.44) MAPK1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7204759 0.73 TDP1 (0.50) MAPK1POLBGAANPSR1CHRNB2
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL6359889 0.73 NPC1 (0.55) CHRNB2CHRNA5CHRNA7CHRNA4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 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 (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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 MAPK1 658/4885POLB 4707/4885GAA 186/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 MAPK1 335/4885POLB 4519/4885GAA 111/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 MAPK1 658/4885POLB 4707/4885GAA 186/4885

“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.