SCHEMBL7039645

SCHEMBL7039645

C=C(CC(=O)O)C(=O)OC(C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
ANPEP P15144 2/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 1/20 0.41
NPEPPS P55786 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
TSHR P16473 1/20 0.40
CYP2D6 P10635 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
LMNA P02545 3/20 0.40
THRB P10828 3/20 0.40
BLM P54132 3/20 0.40
PMP22 Q01453 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40

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
SCHEMBL7039649 0.92 KLK7 (0.42) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7038143 0.83 MEN1 (0.41) CYP2D6LMNAMEN1KMT2ACYP2C9
SCHEMBL22615618 0.82 TSHR (0.42) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL22615621 0.82 TSHR (0.42) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL22615869 0.76 CACNA1B (0.51) HTTTP53ALDH1A1MAPTKLK7
SCHEMBL22615867 0.76 CACNA1B (0.51) HTTTP53ALDH1A1MAPTKLK7
SCHEMBL21881191 0.76 CYP2D6 (0.49) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL21881472 0.76 CYP2D6 (0.49) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL28279393 0.76 CYP2D6 (0.50) TSHRCYP2D6CYP1A2LMNATHRB
SCHEMBL21881383 0.74 CYP2D6 (0.48) MMP2MMP9ANPEPLTA4HLAP3

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 MMP2 3208/4885MMP9 3004/4885ANPEP 3530/4885

“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.