SCHEMBL7064192

SCHEMBL7064192

CC(C)(OC=O)C(=O)OCCCl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ABCB11 O95342 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HTR2A P28223 1/20 0.30
PMP22 Q01453 1/20 0.30
PPARA Q07869 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL23293930 0.82 HCAR2 (0.38) TDP1ABCB11CYP1A2CYP3A4TSHR
SCHEMBL23336184 0.81 TDP1 (0.34) TDP1CYP4F2CYP4A11
SCHEMBL28973659 0.79 ATM (0.47) TDP1CYP1A2TSHRCYP4F2CYP4A11
SCHEMBL23336302 0.78 CA12 (0.36) TDP1
SCHEMBL8990561 0.78 ABCB11 (0.33) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL3441150 0.78 PKM (0.46) TDP1ABCB11CYP1A2CYP3A4TSHR
SCHEMBL23336298 0.77 NAAA (0.47) TSHR
SCHEMBL28973635 0.75 ADORA3 (0.35) TDP1CYP3A4TSHRPPARACYP4F2
SCHEMBL23336299 0.75 PTPN1 (0.32) TDP1CYP3A4CYP4F2CYP4A11
SCHEMBL3910492 0.74 POLB (0.43) TDP1CYP1A2CYP3A4CYP4F2CYP4A11

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-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 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-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO TDP1 1151/4885ABCB11 3953/4885CYP1A2 432/4885

“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.