SCHEMBL7043535

SCHEMBL7043535

CCC(OC(=O)/C=C/C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.53
PGR P06401 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KLK7 P49862 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL7043537 0.95 HCAR2 (0.45) HCAR2PGRADRA2AADRA2BHTR2A
SCHEMBL9464201 0.84 HCAR2 (0.48) HCAR2PGRADRA2AADRA2BHTR2A
SCHEMBL9464186 0.84 HCAR2 (0.48) HCAR2PGRADRA2AADRA2BHTR2A
SCHEMBL31359579 0.79 ALDH1A1 (0.57) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL9464199 0.77 HCAR2 (0.54) HCAR2PGRADRA2AADRA2BHTR2A
SCHEMBL633438 0.77 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL27261596 0.75 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL28971849 0.75 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11522787 0.75 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL3482642 0.75 HCAR2 (0.64) HCAR2KDM4EALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 HCAR2 3143/4885PGR 1406/4885ADRA2A 3061/4885

“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.