Sugi Predict

Sugi Predict / Compounds / SCHEMBL304505

SCHEMBL304505

SCHEMBL304505

CCCc1ccc(O)c(C=O)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.71
▸ CNR1 P21554 1/20 0.58
▸ CNR2 P34972 1/20 0.58
▸ ERN1 O75460 6/20 0.49
▸ ALOX5 P09917 1/20 0.46
▸ MCL1 Q07820 1/20 0.45
▸ IAPP P10997 2/20 0.45
▸ NT5E P21589 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL29953951 1.00 CDK1 (0.71) CDK1CNR1CNR2ERN1ALOX5
SCHEMBL7094408 0.95 CDK1 (0.65) CDK1CNR1CNR2ERN1ALOX5
SCHEMBL305915 0.89 CDK1 (0.77) CDK1CNR1CNR2ERN1IAPP
SCHEMBL19757236 0.88 CDK1 (0.81) CDK1ERN1NT5E
SCHEMBL305077 0.88 CDK1 (0.81) CDK1IAPP
SCHEMBL304650 0.86 CDK1 (0.84) CDK1
SCHEMBL6882282 0.86 CDK1 (0.84) CDK1
SCHEMBL305081 0.86 CDK1 (0.84) CDK1
SCHEMBL304974 0.86 CDK1 (0.84) CDK1
SCHEMBL11421416 0.86 CDK1 (0.84) CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 — — US claimed
EP-0721482-B1 ADHESION PROMOTER FOR PVC COMPOUNDS DU PONT (US) 1997-11-05 — — EP claimed
US-5219954-A Improved ductility, flexural stiffness, modulus and tensile strength SHELL OIL COMPANY (US) 1993-06-15 — — US claimed
CN-110418780-A cyclohexene derivatives as perfuming ingredients FIRMENICH & CIE 2019-11-05 — — CN disclosed
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same NORTH CAROLINA CENTRAL UNIV (US) 2018-12-27 — — US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 — — US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 — — US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 — — US disclosed
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 — — EP disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 — — US disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 — — US disclosed
WO-2002027083-A1 STRETCHABLE POLYMERIC FIBERS AND ARTICLES PRODUCED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-04-04 — — WO disclosed
WO-2002027082-A1 STRETCHABLE FIBERS OF POLYMERS, SPINNERETS USEFUL TO FORM THE FIBERS, AND ARTICLES PRODUCED THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-04-04 — — WO disclosed
CN-1334798-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2002-02-06 — — CN disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 — — US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 — — US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — WO disclosed
EP-0530904-B1 A composition comprising a polymer of carbon monoxide and ethylenically unsaturated compounds SHELL INT RESEARCH (NL) 1997-03-05 — — EP disclosed
EP-0530904-A1 A composition comprising a polymer of carbon monoxide and ethylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-03-10 — — 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 (6 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-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same GLS2, PC, GLS CDK1 1415/4885CNR1 1790/4885CNR2 2170/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS CDK1 1415/4885CNR1 1790/4885CNR2 2170/4885
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 CDK1 4235/4885CNR1 2171/4885CNR2 1348/4885
US-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 CDK1 1895/4885CNR1 3756/4885CNR2 4584/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 CDK1 1895/4885CNR1 3756/4885CNR2 4584/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CDK1 399/4885CNR1 270/4885CNR2 607/4885

“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.