SCHEMBL5997735

SCHEMBL5997735

C=C(C(=O)OC)c1ccccc1COc1cc(C(F)(F)F)nc(OC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CYP1A2 P05177 1/20 0.34
OPRL1 P41146 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
SDHB P21912 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL5997731 0.87 HIF1A (0.38) HIF1APTGS1PTGS2EDNRBEDNRA
SCHEMBL23960154 0.87 PTGS1 (0.38) HIF1APTGS1PTGS2EDNRBEDNRA
SCHEMBL5998920 0.87 HIF1A (0.38) HIF1APTGS1PTGS2EDNRBEDNRA
SCHEMBL5999116 0.87 HIF1A (0.38) HIF1APTGS1PTGS2EDNRBEDNRA
Fluacrypyrim SCHEMBL29413955 0.86 HIF1A (0.37) HIF1APTGS1PTGS2EDNRBEDNRA
Fluacrypyrim SCHEMBL83958 0.86 HIF1A (0.37) HIF1APTGS1PTGS2EDNRBEDNRA
Fluacrypyrim SCHEMBL682688 0.86 HIF1A (0.37) HIF1APTGS1PTGS2EDNRBEDNRA
Fluacrypyrim SCHEMBL5997532 0.86 HIF1A (0.37) HIF1APTGS1PTGS2EDNRBEDNRA
SCHEMBL8347644 0.85 PTGS1 (0.37) HIF1APTGS1PTGS2CYP1A2RXFP1
SCHEMBL4089901 0.83 PTGS1 (0.36) HIF1APTGS1PTGS2EDNRBEDNRA

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
US-20060287527-A1 Process for producing acrylic acid derivative NIPPON SODA CO., LTD. (JP) 2006-12-21 US disclosed
US-20040152894-A1 Process for producing acrylic acid derivative NIPPON SODA CO. LTD (JP) 2004-08-05 US disclosed
EP-1142857-A1 PROCESSES FOR PRODUCING ACRYLIC ACID DERIVATIVE NIPPON SODA CO., LTD. (JP) 2001-10-10 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-20040152894-A1 Process for producing acrylic acid derivative OXGR1, GART, HAO2 HIF1A 1110/4885PTGS1 2168/4885PTGS2 2233/4885
US-20060287527-A1 Process for producing acrylic acid derivative APEH, HAAO, ASNS HIF1A 946/4885PTGS1 2383/4885PTGS2 2099/4885

“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.