SCHEMBL9998433

SCHEMBL9998433

CC(=O)OC(OC(C)=O)/C(C)=C/c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PTGS2 P35354 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2A6 P11509 1/20 0.38
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 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
SCHEMBL9998434 1.00 LMNA (0.41) LMNAPTGS2MAPTNPC1POLB
SCHEMBL9997471 0.84 KMT2A (0.45) LMNAMAPTNPC1POLBRAB9A
SCHEMBL9997472 0.84 KMT2A (0.45) LMNAMAPTNPC1POLBRAB9A
SCHEMBL9997468 0.84 CYP2C9 (0.46) PTGS2AKR1C3ALDH1A1CYP2C9
SCHEMBL9997797 0.84 MEN1 (0.45) LMNAPTGS2MAPTAKR1C3ALDH1A1
SCHEMBL9997470 0.84 CYP2C9 (0.46) PTGS2AKR1C3ALDH1A1CYP2C9
SCHEMBL9997796 0.84 MEN1 (0.45) LMNAPTGS2MAPTAKR1C3ALDH1A1
SCHEMBL7895855 0.84 AKR1C3 (0.50) MAPTNPC1POLBRAB9AAKR1C3
SCHEMBL9997681 0.84 AKR1C3 (0.50) MAPTNPC1POLBRAB9AAKR1C3
SCHEMBL9998540 0.83 KDM4E (0.45) LMNAPTGS2MAPTNPC1POLB

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 3752/4885PTGS2 891/4885MAPT 2206/4885

“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.