SCHEMBL9997653

SCHEMBL9997653

CCCCCCCC=C(CCC)C(OC(C)=O)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.44
LMNA P02545 3/20 0.43
PRKCA P17252 3/20 0.42
FAAH O00519 3/20 0.40
TERT O14746 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C19 P33261 2/20 0.40
BLM P54132 2/20 0.40
HSD17B10 Q99714 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
PPARG P37231 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 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
SCHEMBL9997651 1.00 EP300 (0.44) EP300LMNAPRKCAFAAHTERT
SCHEMBL9997844 1.00 EP300 (0.44) EP300LMNAPRKCAFAAHTERT
SCHEMBL9997846 1.00 EP300 (0.44) EP300LMNAPRKCAFAAHTERT
SCHEMBL9997620 0.98 EP300 (0.42) EP300LMNAPRKCAFAAHTERT
SCHEMBL9997623 0.98 EP300 (0.42) EP300LMNAPRKCAFAAHTERT
SCHEMBL9997544 0.93 LMNA (0.38) EP300LMNAPRKCACYP2C19CYP2C9
SCHEMBL9997542 0.93 LMNA (0.38) EP300LMNAPRKCACYP2C19CYP2C9
SCHEMBL9998625 0.88 EP300 (0.46) EP300LMNAPRKCAFAAHCYP1A2
SCHEMBL9998622 0.88 EP300 (0.46) EP300LMNAPRKCAFAAHCYP1A2
SCHEMBL9997901 0.88 EP300 (0.46) EP300LMNAPRKCAFAAHCYP1A2

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-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 EP300 4062/4885LMNA 3752/4885PRKCA 4792/4885

“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.