SCHEMBL252168

SCHEMBL252168

C=CCC=C(CC=C)C(=O)OC(=O)C=C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.31
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL252166 0.88
SCHEMBL252167 0.88
SCHEMBL27557763 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL211113 0.76 CYP3A4 (0.39) TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL244291 0.72 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11102191 0.71
SCHEMBL462908 0.71 TSHR (0.34) TSHRALDH1A1HSD17B10
SCHEMBL462909 0.71 TSHR (0.34) TSHRALDH1A1HSD17B10
SCHEMBL6125522 0.70
SCHEMBL49388 0.70 ALDH1A1 (0.32) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500273-A 2012-01-05 JP claimed
EP-2334635-A2 PROCESSES FOR PRODUCING N-ALKYL (ALKYL)ACRYLAMIDES Nalco Company (US) 2011-06-22 EP claimed
US-20100048951-A1 PROCESSES FOR PRODUCING N-ALKYL (ALKYL)ACRYLAMIDES ECOLAB USA INC. 2010-02-25 US claimed
WO-2010021956-A2 PROCESSES FOR PRODUCING N-ALKYL (ALKYL)ACRYLAMIDES NALCO COMPANY (US) 2010-02-25 WO claimed
US-8445723-B2 Processes for producing N-alkyl (alkyl)acrylamides NALCO COMPANY (US) 2013-05-21 US disclosed
EP-2334635-A2 PROCESSES FOR PRODUCING N-ALKYL (ALKYL)ACRYLAMIDES Nalco Company (US) 2011-06-22 EP disclosed
US-20100048951-A1 PROCESSES FOR PRODUCING N-ALKYL (ALKYL)ACRYLAMIDES ECOLAB USA INC. 2010-02-25 US disclosed
WO-2010021956-A2 PROCESSES FOR PRODUCING N-ALKYL (ALKYL)ACRYLAMIDES NALCO COMPANY (US) 2010-02-25 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-20100048951-A1 PROCESSES FOR PRODUCING N-ALKYL (ALKYL)ACRYLAMIDES ACR, NAAA, INA TSHR 4245/4885ALDH1A1 396/4885TP53 80/4885

“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.