SCHEMBL9998548

SCHEMBL9998548

CC(=O)OCC(C)=Cc1ccc(C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 1/20 0.44
TYR P14679 1/20 0.43
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 7/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 5/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.36
HTT P42858 1/20 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
SCHEMBL9998250 0.86 KDM4E (0.42) KDM4EMAPK1TYRMAPTSMN1; SMN2
SCHEMBL9998619 0.83 CYP2C9 (0.46) SMN1; SMN2ALDH1A1HPGDL3MBTL1HTT
SCHEMBL9998618 0.83 CYP2C9 (0.46) SMN1; SMN2ALDH1A1HPGDL3MBTL1HTT
SCHEMBL9997750 0.82 PPARG (0.37) KDM4ETYRMAPTSMN1; SMN2ALDH1A1
SCHEMBL9998159 0.81 LMNA (0.41) KDM4EMAPK1MAPTSMN1; SMN2RAB9A
SCHEMBL9998157 0.81 LMNA (0.41) KDM4EMAPK1MAPTSMN1; SMN2RAB9A
SCHEMBL9997813 0.81 SMN1; SMN2 (0.41) KDM4EMAPK1TYRMAPTSMN1; SMN2
SCHEMBL9997740 0.80 LMNA (0.53) KDM4EMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9997743 0.80 LMNA (0.53) KDM4EMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9998139 0.80 MAPT (0.53) MAPTPOLBALDH1A1LMNAL3MBTL1

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 3 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
CN-101289374-A Process for preparing alpha-methyl p-isopropylbenylpropyl aldehyde SHANGHAI FINE CHEMICAL CO LTD (CN) 2008-10-22 CN 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 3266/4885MAPK1 1707/4885TYR 448/4885

“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.