SCHEMBL7040600

SCHEMBL7040600

C=C(CC(=O)O)C(=O)OC(C(=O)OC)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
SLC6A3 Q01959 2/20 0.33
EPHX1 P07099 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7040602 0.88 KMT2A (0.36) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL3858384 0.78 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1NPSR1EPHX1
SCHEMBL24383740 0.72 TP53 (0.40) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL481426 0.71 ALOX15 (0.39) KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL16863975 0.70 TP53 (0.46) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL18022827 0.70 TP53 (0.46) THRBTP53KMT2AMEN1ALDH1A1
SCHEMBL22615974 0.68 CASP1 (0.34) KMT2AMEN1ALDH1A1NPSR1EPHX1
SCHEMBL22615461 0.68 CASP1 (0.34) KMT2AMEN1ALDH1A1NPSR1EPHX1
SCHEMBL22615669 0.68 CASP1 (0.34) KMT2AMEN1ALDH1A1NPSR1EPHX1
SCHEMBL22615799 0.68 CASP1 (0.34) KMT2AMEN1ALDH1A1NPSR1EPHX1

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 THRB 3136/4885TP53 4868/4885KMT2A 1067/4885

“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.