SCHEMBL670991

SCHEMBL670991

C/C(C(=O)O)=C(\O)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA2 P00918 1/20 0.40
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
GRIK1 P39086 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL670992 1.00 ALDH1A1 (0.50) ALDH1A1TDP1CA2CACNA2D1CACNB3
SCHEMBL13389077 0.82 ALDH1A1 (0.48) ALDH1A1TDP1CA2CACNA2D1CACNB3
SCHEMBL449035 0.82 TDP1 (0.36) ALDH1A1TDP1GRIK1
SCHEMBL8024097 0.80 ALDH1A1 (0.35) ALDH1A1TDP1GRIK1
SCHEMBL1017645 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CA2CACNA2D1CACNB3
SCHEMBL1746341 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CA2CACNA2D1CACNB3
SCHEMBL1017646 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CA2CACNA2D1CACNB3
SCHEMBL18640438 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CA2CACNA2D1CACNB3
SCHEMBL8977483 0.78 ALDH1A1 (0.33) ALDH1A1TDP1CA2
SCHEMBL6544624 0.77 ALDH1A1 (0.48) ALDH1A1TDP1CA2CACNA2D1CACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521445-B1 FORMULATION AND USE THEREOF BASF SE (DE) 2019-08-28 EP disclosed
EP-2588264-B1 PROCESS FOR PRODUCING SILVER NANOWIRES RENT A SCIENTIST GMBH (DE) 2016-03-30 EP disclosed
US-20150104487-A1 FORMULATION AND USE THEREOF BASF SE (DE) 2015-04-16 US disclosed
EP-2588264-A2 PROCESS FOR PRODUCING SILVER NANOWIRES Rent-a-Scientist GmbH (DE) 2013-05-08 EP disclosed
EP-1576025-B1 POLYETHER URETHANE CONTAINING ALLYL GROUPS BASF SE (DE) 2013-02-20 EP disclosed
US-20120308840-A1 FORMULATION AND USE THEREOF BASF SE (DE) 2012-12-06 US disclosed
EP-2506707-A1 METHOD FOR TREATING PHYTOPATHOGENIC MICROORGANISMS USING SURFACE-MODIFIED NANOPARTICULATE COPPER SALTS BASF SE (DE) 2012-10-10 EP disclosed
WO-2012022332-A2 PROCESS FOR PRODUCING SILVER NANOWIRES RENT A SCIENTIST GMBH (DE) 2012-02-23 WO disclosed
WO-2011067186-A1 METHOD FOR TREATING PHYTOPATHOGENIC MICROORGANISMS USING SURFACE-MODIFIED NANOPARTICULATE COPPER SALTS BASF SE (DE) 2011-06-09 WO disclosed
EP-2310320-A1 NANOPARTICULATE SURFACE-MODIFIED COPPER COMPOUNDS BASF SE (DE) 2011-04-20 EP disclosed
EP-0290807-B1 HYDROSOLUBLE COPOLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1992-03-04 EP disclosed
EP-0291808-B1 USE OF WATER SOLUBLE COPOLYMERISATES, WHEREIN MONOMERS HAVING AT LEAST TWO ETHYLENICALLY UNSATURATED MONOMERS ARE TAKING PART IN WASKING AND CLEANING AGENTS BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
EP-0292766-B1 USE OF WATER SOLUBLE COPOLYMERISATES, WHEREIN MONOMERS HAVING AT LEAST TWO ETHYLENICALLY UNSATURATED MONOMERS ARE TAKING PART IN WASTING AND CLEANING AGENTS BASF Aktiengesellschaft (DE) 1990-11-14 EP disclosed
EP-0344591-A2 Process for preparing hydrosoluble polymers, and their use BASF Aktiengesellschaft (DE) 1989-12-06 EP disclosed
EP-0337259-A2 Use of hydrosoluble copolymers based on monoethylenic unsaturated carboxylic acids BASF Aktiengesellschaft (DE) 1989-10-18 EP disclosed
EP-0292766-A1 Use of water soluble copolymerisates, wherein monomers having at least two ethylenically unsaturated monomers are taking part in wasting and cleaning agents BASF Aktiengesellschaft (DE) 1988-11-30 EP disclosed
EP-0291808-A1 Use of water soluble copolymerisates, wherein monomers having at least two ethylenically unsaturated monomers are taking part in wasking and cleaning agents BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
EP-0290807-A2 Hydrosoluble copolymers, process for their preparation and their use BASF Aktiengesellschaft (DE) 1988-11-17 EP disclosed
EP-0289788-A2 Hydrosoluble copolymers, process for their preparation and their use BASF Aktiengesellschaft (DE) 1988-11-09 EP disclosed
EP-0289787-A2 Hydrosoluble copolymers, process for their preparation and their use BASF Aktiengesellschaft (DE) 1988-11-09 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 (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-20120308840-A1 FORMULATION AND USE THEREOF SMCHD1, SMS, PEF1 ALDH1A1 2459/4885TDP1 2558/4885CA2 3171/4885
US-20150104487-A1 FORMULATION AND USE THEREOF SMCHD1, SMS, PEF1 ALDH1A1 2459/4885TDP1 2558/4885CA2 3171/4885

“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.