SCHEMBL9998368

SCHEMBL9998368

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
TRPV1 Q8NER1 9/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.41
GAA P10253 1/20 0.40
TTR P02766 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 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
SCHEMBL9998365 1.00 CYP1A2 (0.54) CYP1A2TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL9998075 0.81 TRPV1 (0.44) TRPV1MAPTMEN1KMT2ALMNA
SCHEMBL9998076 0.81 TRPV1 (0.44) TRPV1MAPTMEN1KMT2ALMNA
SCHEMBL9998021 0.81 CYP3A4 (0.51) SMN1; SMN2RAB9AMAPTALDH1A1MEN1
SCHEMBL9998022 0.81 CYP3A4 (0.51) SMN1; SMN2RAB9AMAPTALDH1A1MEN1
SCHEMBL9997845 0.79 HSD11B1 (0.48) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL9998233 0.79 MAPT (0.53) CYP1A2SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL9998308 0.79 CYP1A2 (0.48) CYP1A2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9997848 0.79 HSD11B1 (0.48) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL9998306 0.79 CYP1A2 (0.48) CYP1A2SMN1; SMN2NPC1RAB9AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368068-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES FIRMENICH SA (CH) 2024-11-07 US disclosed
EP-4367109-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES Firmenich SA (CH) 2024-05-15 EP disclosed
WO-2023036732-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES FIRMENICH SA (CH) 2023-03-16 WO disclosed
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 (2 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 CYP1A2 19/4885TRPV1 2954/4885SMN1; SMN2 3151/4885
US-20240368068-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES POR, PPOX, ACLY CYP1A2 7/4885TRPV1 593/4885SMN1; SMN2 4438/4885

“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.