SCHEMBL6516622

SCHEMBL6516622

CCCCC(CC)COC(=O)/C=C/C(=O)OCC(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 3/20 0.52
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 1/20 0.50
CA2 P00918 1/20 0.49
ATM Q13315 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL3262244 0.82 TDP1 (0.78) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL3263647 0.82 TDP1 (0.78) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL1200573 0.81 CYP3A4 (0.55) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL8679745 0.80 ALDH1A1 (0.73) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL6523092 0.80 MAPT (0.61) TSHRALDH1A1LMNACA2NPC1
SCHEMBL6520716 0.80 CYP3A4 (0.45) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL423544 0.80 TSHR (0.77) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL87501 0.80 TSHR (0.77) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL226708 0.80 TSHR (0.77) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL8419623 0.79 TDP1 (0.71) TDP1TSHRALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
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 TDP1 1789/4885TSHR 3581/4885ALDH1A1 1254/4885

“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.