SCHEMBL9997658

SCHEMBL9997658

CC(=O)OC/C(C)=C/c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CDC25B P30305 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.40
SMPD2 O60906 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9997661 1.00 KDM4E (0.49) KDM4EMTNR1AMTNR1BCDC25BHDAC8
SCHEMBL9997969 0.80 SMN1; SMN2 (0.50) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL9997971 0.80 SMN1; SMN2 (0.50) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL9997675 0.78 HSD11B1 (0.42) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL9997825 0.78 CYP1A2 (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9997591 0.78 ALDH1A1 (0.40) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL9997588 0.78 ALDH1A1 (0.40) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL9997676 0.78 HSD11B1 (0.42) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL9997935 0.78 L3MBTL1 (0.43) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL9997824 0.78 CYP1A2 (0.48) ALDH1A1HPGDMAPTMEN1KMT2A

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 3266/4885MTNR1A 2798/4885MTNR1B 2713/4885

“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.