SCHEMBL712647

SCHEMBL712647

CC1(CCOCc2ccccc2)OCCO1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.45
NAAA Q02083 1/20 0.41
LTA4H P09960 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
SOAT1 P35610 1/20 0.37
CHRM3 P20309 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CA1 P00915 1/20 0.36
TACR1 P25103 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
SCHEMBL26688770 0.83 TSHR (0.48) ALDH1A1TSHRNAAALTA4HTDP1
SCHEMBL711818 0.83 TSHR (0.48) ALDH1A1TSHRTAAR1CA1TACR1
SCHEMBL2734995 0.82 ALOX5 (0.44) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL13279978 0.81 ALDH1A1 (0.50) ALDH1A1TSHRNAAALTA4HTDP1
SCHEMBL28289730 0.78 ALDH1A1 (0.45) ALDH1A1TSHRNAAALTA4HTDP1
SCHEMBL7689385 0.78 ALDH1A1 (0.47) ALDH1A1TSHRNAAALTA4HTDP1
SCHEMBL14130984 0.77 GAA (0.41) ALDH1A1TDP1L3MBTL1OPRM1
SCHEMBL2796691 0.76 TSHR (0.41) ALDH1A1TSHRNAAALTA4HCHRM3
Ammonia Solution, Strong SCHEMBL28855406 0.76 ALDH1A1 (0.46) ALDH1A1TSHRNAAALTA4HTDP1
SCHEMBL1900502 0.76 ALDH1A1 (0.46) ALDH1A1TSHRNAAALTA4HTDP1

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 ALDH1A1 1028/4885TSHR 603/4885NAAA 432/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 ALDH1A1 1053/4885TSHR 791/4885NAAA 356/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 ALDH1A1 1028/4885TSHR 603/4885NAAA 432/4885

“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.