SCHEMBL9998024

SCHEMBL9998024

CC(=O)OC(C=Cc1ccc(C(C)C)cc1)OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
TYR P14679 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
EGFR P00533 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 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
SCHEMBL9998308 0.84 CYP1A2 (0.48) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL9998306 0.84 CYP1A2 (0.48) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL9997466 0.83 KDM4E (0.47) KDM4EMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL9998021 0.82 CYP3A4 (0.51) KDM4ESMN1; SMN2RAB9APOLBALDH1A1
SCHEMBL9998022 0.82 CYP3A4 (0.51) KDM4ESMN1; SMN2RAB9APOLBALDH1A1
SCHEMBL9997284 0.81 CYP3A4 (0.42) KDM4EMAPK1SMN1; SMN2TYRALDH1A1
SCHEMBL9997848 0.81 HSD11B1 (0.48) KDM4ESMN1; SMN2POLBLMNAMAPT
SCHEMBL9998233 0.81 MAPT (0.53) KDM4EMAPK1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9997845 0.81 HSD11B1 (0.48) KDM4ESMN1; SMN2POLBLMNAMAPT
SCHEMBL9998235 0.81 MAPT (0.53) KDM4EMAPK1SMN1; SMN2RAB9AALDH1A1

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 KDM4E 3266/4885MAPK1 1707/4885SMN1; SMN2 3151/4885

“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.