SCHEMBL1088595

SCHEMBL1088595

O=C(O)CNCC(CC(=O)O)(CC(=O)O)NCC(=O)O.[NaH].[NaH]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6746940 1.00 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6889572 1.00 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Water SCHEMBL9151500 0.98 ALDH1A1 (0.30) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10549264 0.98 ALDH1A1 (0.30) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL221253 0.98 ALDH1A1 (0.32) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL4954541 0.96 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Water SCHEMBL8376683 0.96 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Ammonia Solution, Strong SCHEMBL15653109 0.96 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Formaldehyde SCHEMBL11705917 0.94 ALDH1A1 (0.30) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1358443 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812923-A1 Improved method for the recovery of lead from exhausted lead acid storage batteries Ente per le Nuove Tecnologie, l'Energia e l'Ambiente - ENEA (IT) 1997-12-17 EP claimed
EP-0225878-A1 MEDICINAL COMPOSITION AND METHOD FOR THE TREATMENT OF PERIARTHRITIS AND SIMILAR DISEASES ELECTROCHEMICAL INTERNATIONAL LIMITED (GB) 1987-06-24 EP claimed
WO-1986001719-A1 MEDICINAL COMPOSITION AND METHOD FOR THE TREATMENT OF PERIARTHRITIS AND SIMILAR DISEASES X-RAY HOLDING S.A. (LU) 1986-03-27 WO claimed
WO-2014168510-A1 METHOD FOR PRODUCING RABIES VACCINE ФЕДЕРАЛЬНОЕ КАЗЕННОЕ ПРЕДПРИЯТИЕ "ЩЕЛКОВСКИЙ БИОКОМБИНАТ" (RU) 2014-10-16 WO disclosed
EP-1658079-B1 MULTIVITAMIN SYRUP FOR CHILDREN OR YOUNG ADULTS PHARMATON SA (CH) 2012-04-25 EP disclosed
US-8152861-B2 Dark coloured azo dyes THE PROCTER & GAMBLE COMPANY (US) 2012-04-10 US disclosed
US-20110225742-A1 Dark Coloured Azo Dyes WELLA OPERATIONS US, LLC 2011-09-22 US disclosed
EP-1730153-B1 ISOPROPANOL WATER SOLVATE OF OLANZAPINE KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2011-07-20 EP disclosed
US-7977482-B2 Dark coloured azo dyes THE PROCTER & GAMBLE COMPANY (US) 2011-07-12 US disclosed
EP-1844109-B1 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS PROCTER & GAMBLE (US) 2011-03-30 EP disclosed
US-7906642-B2 Isopropanol water solvate of olanzapine KRKA, TOVARNA ZDRAVIL, D.D. (SI) 2011-03-15 US disclosed
WO-2006081245-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed
WO-2005085256-A1 ISOPROPANOL WATER SOLVATE OF OLANZAPINE KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2005-09-15 WO disclosed
US-20030157494-A1 Smooth muscle cell promoter and uses thereof UNIVERSITEIT MAASTRICHT (NL) 2003-08-21 US disclosed
EP-1214439-A2 SMOOTH MUSCLE CELL PROMOTER AND USES THEREOF Universiteit Maastricht/Cardiovascular Research Insitute Maastricht ( Carim) (NL) 2002-06-19 EP disclosed
WO-2001018048-A2 SMOOTH MUSCLE CELL PROMOTER AND USES THEREOF UNIVERSITEIT MAASTRICHT/CARDIOVASCULAR RESEARCH INSTITUTE MAASTRICHT (CARIM) (NL) 2001-03-15 WO disclosed
EP-1083231-A1 Smooth muscle cell promoter and uses thereof Introgene B.V. (NL) 2001-03-14 EP disclosed
US-5944869-A SOLUBILIZING LEAD SULFATE AND LEAD OXIDE; REDUCTION ENTE PER LE NUOVE TECHNOLOGIE, L'ENERGIA E L'AMBIENTE (ENEA) (IT) 1999-08-31 US disclosed
EP-0812923-A1 Improved method for the recovery of lead from exhausted lead acid storage batteries Ente per le Nuove Tecnologie, l'Energia e l'Ambiente - ENEA (IT) 1997-12-17 EP disclosed
WO-1991017469-A1 KIT FOR CONTACT LENSES VEPEX CONTRACTOR LTD. (HU) 1991-11-14 WO 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-20110225742-A1 Dark Coloured Azo Dyes KRT18, CYB5R3, CYBA ALDH1A1 709/4885HMGCR 4063/4885CHRM1 1643/4885

“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.