SCHEMBL9998377

SCHEMBL9998377

CCC/C=C(\CCC)COC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 2/20 0.38
FAAH O00519 1/20 0.36
PTPN1 P18031 1/20 0.34
TSHR P16473 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PRKCA P17252 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
BACE1 P56817 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
SCHEMBL9998381 1.00 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9997933 0.89 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9997931 0.89 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9997893 0.87 FAAH (0.44) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9997894 0.87 FAAH (0.44) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9997945 0.86 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9997560 0.86 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9997946 0.86 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9997557 0.86 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15FAAH
SCHEMBL9998402 0.86 FAAH (0.46) ALDH1A1LMNAHSD17B10ALOX15FAAH

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 ALDH1A1 160/4885LMNA 3752/4885HSD17B10 317/4885

“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.