SCHEMBL9997605

SCHEMBL9997605

CC(=O)OC(OC(C)=O)C(=Cc1cccc(C)c1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL9998522 0.84 PTGS1 (0.43) MMP1MMP2MMP9PKMMAOA
SCHEMBL9997490 0.84 HSD17B3 (0.42) NPC1KMT2APKMMAOAMAOB
SCHEMBL9998362 0.84 CYP1A2 (0.42) LMNATDP1NPC1MMP1MMP2
SCHEMBL9998047 0.84 ALDH1A1 (0.36) LMNATDP1TP53EGFRKDM4E
SCHEMBL9997245 0.84 LMNA (0.44) LMNATDP1TP53NPC1CASP3
SCHEMBL9997246 0.84 LMNA (0.44) LMNATDP1TP53NPC1CASP3
SCHEMBL9997311 0.83 AKR1C3 (0.46) TDP1NPC1KMT2AALDH1A1RAB9A
SCHEMBL9997905 0.83 LMNA (0.41) LMNATDP1TP53NPC1CASP3
SCHEMBL9997881 0.83 LMNA (0.41) LMNATDP1TP53NPC1CASP3
SCHEMBL9997998 0.82 HDAC4 (0.39) TDP1NPC1KMT2AKDM4EALDH1A1

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 3752/4885TDP1 1635/4885TP53 4307/4885

“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.