Sugi Predict

Sugi Predict / Compounds / SCHEMBL80130

SCHEMBL80130

SCHEMBL80130

COc1ccc(CCCO)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.56
▸ CA2 P00918 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ ADRA1A P35348 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.45
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ CNR1 P21554 2/20 0.44

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
SCHEMBL30092258 1.00 APLNR (0.56) APLNRCA2CA12CA1CA7
SCHEMBL4862695 0.95 APLNR (0.54) APLNRCA2CA12CA1CA7
SCHEMBL13528991 0.93 APLNR (0.53) APLNRCA2CA12CA1CA7
SCHEMBL48353 0.89 APLNR (0.59) APLNRCA2CA12CA1CA7
SCHEMBL30107392 0.89 APLNR (0.63) APLNRCA2CA12CA1CA7
SCHEMBL27315198 0.87 MEN1 (0.46) APLNRMTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL5833761 0.86 ADRA1A (0.64) CA2CA12CA1CA7CA9
SCHEMBL9417780 0.84 APLNR (0.58) APLNRCA2CA12CA1CA7
SCHEMBL29290893 0.83 ESR1 (0.69) APLNRESR1CYP19A1ESR2
SCHEMBL17537741 0.82 TNKS2 (0.57) TAAR1TNKS2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385782-A Mechanochemical synthesis method of benzoyl compound 兰州大学 2022-11-25 — — CN claimed
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
CN-115385782-A Mechanochemical synthesis method of benzoyl compound 兰州大学 2022-11-25 — — CN disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 — — EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 — — EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 — — CN disclosed
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 — — US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
US-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 — — US disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 — — US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 — — EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 — — WO disclosed
EP-1885359-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-02-13 — — EP disclosed
WO-2006128851-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 — — WO disclosed
US-20050267047-A1 Diarylalkanes as potent inhibitors of binuclear enzymes UNIGEN PHARMACEUTICALS, INC. (US) 2005-12-01 — — 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 (4 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-20050267047-A1 Diarylalkanes as potent inhibitors of binuclear enzymes TYR, DDT, HAAO APLNR 4615/4885CA2 1462/4885CA12 3994/4885
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R APLNR 699/4885CA2 672/4885CA12 1754/4885
US-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 APLNR 4366/4885CA2 1455/4885CA12 3942/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C APLNR 3366/4885CA2 1060/4885CA12 1744/4885

“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.