SCHEMBL19929602

SCHEMBL19929602

CC(=O)CCCCc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CES1 P23141 1/20 0.42
FDPS P14324 1/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 2/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
HSD17B10 Q99714 1/20 0.35
COPS5 Q92905 1/20 0.34

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
SCHEMBL4574427 0.87 ALDH1A1 (0.47) PLA2G4AALDH1A1CES1FDPSTSHR
SCHEMBL11156307 0.84 PLA2G4A (0.48) PLA2G4ACES1
SCHEMBL2657137 0.84 PLA2G4A (0.44) PLA2G4AALDH1A1CES1FDPSTSHR
SCHEMBL7174088 0.83 CES1 (0.49) PLA2G4ACES1
SCHEMBL2656867 0.83 CES1 (0.46) PLA2G4AALDH1A1CES1FDPSTSHR
SCHEMBL6179956 0.79 SMN1; SMN2 (0.44) PLA2G4AALDH1A1CES1FDPSPKM
SCHEMBL28152645 0.78 TSHR (0.45) ALDH1A1FDPSTSHRPKMCYP3A4
Urea SCHEMBL7180010 0.78 PLA2G4A (0.45) PLA2G4AALDH1A1FDPSPKMHRH2
SCHEMBL4759129 0.77
SCHEMBL244221 0.76 PLA2G4A (0.41) PLA2G4AALDH1A1FDPSHRH2HRH1

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-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 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-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF PLA2G4A 1750/4885ALDH1A1 2862/4885CES1 336/4885

“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.