SCHEMBL4017217

SCHEMBL4017217

CCCC=CCNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
EPHX2 P34913 1/20 0.37
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
TERT O14746 3/20 0.36
PTPN1 P18031 3/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36
FABP4 P15090 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4021284 1.00 HRH4 (0.38) HRH4HRH3TAS1R3TAS1R1EPHX2
SCHEMBL4017209 1.00 HRH4 (0.38) HRH4HRH3TAS1R3TAS1R1EPHX2
SCHEMBL4023681 0.85 PPARG (0.55) EPHX2TERTPTPN1MAPTBLM
SCHEMBL4023678 0.85 PPARG (0.55) EPHX2TERTPTPN1MAPTBLM
SCHEMBL2349808 0.84 ALDH1A1 (0.45) EPHX2MAPTBLMHSD17B10F7
SCHEMBL2349805 0.84 ALDH1A1 (0.45) EPHX2MAPTBLMHSD17B10F7
SCHEMBL2510576 0.84 TERT (0.58) EPHX2SOAT2SOAT1TERTPTPN1
SCHEMBL2320014 0.84 TERT (0.58) EPHX2SOAT2SOAT1TERTPTPN1
SCHEMBL9938536 0.77 TSHR (0.34) BLMLMNACYP1A2CYP2C9APEX1
SCHEMBL9938539 0.77 TSHR (0.34) BLMLMNACYP1A2CYP2C9APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104334546-B Novel ring-substituted N-pyridyl amides as kinase inhibitors 诺华股份有限公司 2017-05-03 CN disclosed
US-7476756-B2 Alkyl-, alkenyl- and alkynylcarbamate derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2009-01-13 US disclosed
US-20080103197-A1 ALKYL-, ALKENYL- AND ALKYNYLCARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-05-01 US 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-20080103197-A1 ALKYL-, ALKENYL- AND ALKYNYLCARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS ALK, ALKBH3, IDH1 HRH4 711/4885HRH3 457/4885TAS1R3 3341/4885

“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.