SCHEMBL9998349

SCHEMBL9998349

CCCCCCCCCCc1ccc(C=C(CCC)C(OC(C)=O)OC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
THRB P10828 9/20 0.44
THRA P10827 8/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 6/20 0.42
ATG4B Q9Y4P1 6/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL9997679 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9997885 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9997949 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9997884 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9997948 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9997990 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9997677 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9998348 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9997992 1.00 FAAH (0.47) FAAHTHRBTHRAMEN1KMT2A
SCHEMBL9997517 0.99 FAAH (0.45) FAAHTHRBTHRAMEN1KMT2A

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 FAAH 1033/4885THRB 926/4885THRA 1085/4885

“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.