SCHEMBL4352292

SCHEMBL4352292

C=CCN(CC=C)CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 6/20 0.45
TRPA1 O75762 1/20 0.45
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
F2 P00734 2/20 0.36
KLK1 P06870 2/20 0.36
PRSS1 P07477 2/20 0.36
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL5476790 0.98 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL3762225 0.96 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL8572647 0.92 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL11731007 0.85 CYP1A2 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL11701536 0.84 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL28761333 0.82 TSHR (0.50) ALDH1A1HCAR2KDM4EHPGDKMT2A
SCHEMBL3999882 0.82 TSHR (0.43) ALDH1A1GAASMN1; SMN2KDM4EMEN1
SCHEMBL1557949 0.81 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL28928298 0.80 TSHR (0.49) ALDH1A1HCAR2KDM4EHPGDKMT2A
SCHEMBL65107 0.80 CA12 (0.61) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
WO-2023205801-A2 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics (US) 2023-10-26 WO disclosed
US-9481590-B2 Poly(zwitterion-alt-sulfur dioxide) copolymer KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2016-11-01 US disclosed
US-9481590-B2 Poly(zwitterion-alt-sulfur dioxide) copolymer KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2016-11-01 US disclosed
US-9359458-B2 Polyzwitterionic acid antiscalant compound KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2016-06-07 US disclosed
US-20150183903-A1 POLYZWITTERIONIC ACID ANTISCALANT COMPOUND KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-07-02 US disclosed
US-20150144569-A1 POLY(ZWITTERION-ALT-SULFUR DIOXIDE) COPOLYMER KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-05-28 US disclosed
US-20150144569-A1 POLY(ZWITTERION-ALT-SULFUR DIOXIDE) COPOLYMER KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-05-28 US disclosed
US-8937104-B2 Cross-linked polyzwitterion/anion for the removal of strontium from aqueous solutions KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-01-20 US disclosed
US-8895633-B2 Cross-linked polyaminocarboxylates for the removal of metal ions from aqueous solutions KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-11-25 US disclosed
US-8895633-B2 Cross-linked polyaminocarboxylates for the removal of metal ions from aqueous solutions KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-11-25 US disclosed
US-20140323685-A1 CROSS-LINKED POLYZWITTERION/ANION FOR THE REMOVAL OF STRONTIUM FROM AQUEOUS SOLUTIONS KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-10-30 US disclosed
US-20140249284-A1 CROSS-LINKED POLYAMINOCARBOXYLATES FOR THE REMOVAL OF METAL IONS FROM AQUEOUS SOLUTIONS KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-09-04 US disclosed
US-20140249284-A1 CROSS-LINKED POLYAMINOCARBOXYLATES FOR THE REMOVAL OF METAL IONS FROM AQUEOUS SOLUTIONS KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-09-04 US disclosed
WO-2009100996-A2 PROCESS FOR PREPARING PYRAZOLE FUNCTIONALIZED BENZODIAZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO disclosed
US-20090203901-A1 Process for preparing pyrazole functionalized benzodiazepinones ROCHE COLORADO CORPORATION 2009-08-13 US disclosed
US-20070004889-A1 Polymers based on n,n-diallylamine derivatives their production and use BASF AKTIENGESELLSCHAFT (DE) 2007-01-04 US disclosed
EP-1670837-A1 POLYMERS BASED ON N,N-DIALLYLAMINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 2006-06-21 EP disclosed
WO-2005037882-A1 POLYMERS BASED ON N,N-DIALLYLAMINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 2005-04-28 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 (2 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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 CA12 4344/4885CA1 4426/4885CA2 4355/4885
US-20090203901-A1 Process for preparing pyrazole functionalized benzodiazepinones AANAT, MAOB, ADRA1B CA12 4796/4885CA1 4134/4885CA2 4601/4885

“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.