SCHEMBL9998443

SCHEMBL9998443

CC/C(=C\c1ccc(C)cc1)COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
DHODH Q02127 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL9998444 1.00 LMNA (0.40) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9997798 0.88 MAPT (0.38) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9997793 0.88 MAPT (0.38) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9998299 0.86 KMT2A (0.41) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9997802 0.86 KMT2A (0.53) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9997806 0.86 KMT2A (0.53) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9998243 0.86 CYP2C9 (0.43) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9998463 0.86 CYP1A2 (0.53) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9998300 0.86 KMT2A (0.41) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL9998242 0.86 CYP2C9 (0.43) LMNAMAPTMEN1KMT2ANPSR1

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 LMNA 3752/4885MAPT 2206/4885MEN1 1032/4885

“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.