SCHEMBL9998651

SCHEMBL9998651

CC(=O)OC/C=C/c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.47
MAOB P27338 2/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL9998652 1.00 NFE2L2 (0.47) NFE2L2MAOBRAB9ASMN1; SMN2NPC1
SCHEMBL28473435 0.87 NFE2L2 (0.50) NFE2L2MAOBRAB9ASMN1; SMN2NPC1
SCHEMBL28473436 0.85 NFE2L2 (0.48) NFE2L2MAOBRAB9ASMN1; SMN2NPC1
SCHEMBL29229628 0.84 MAOB (0.46) NFE2L2MAOBRAB9ASMN1; SMN2NPC1
SCHEMBL9998182 0.82 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1CYP1A2ALDH1A1
SCHEMBL9998185 0.82 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1CYP1A2ALDH1A1
SCHEMBL1039973 0.82 MAPT (0.54) NFE2L2MAOBRAB9ANPC1ALDH1A1
SCHEMBL21829131 0.81 NFE2L2 (0.42) NFE2L2MAOBRAB9ASMN1; SMN2NPC1
SCHEMBL21829132 0.81 NFE2L2 (0.42) NFE2L2MAOBRAB9ASMN1; SMN2NPC1
SCHEMBL9998642 0.81 ALDH1A1 (0.40) NFE2L2NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12377407-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-08-05 US disclosed
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-07-14 US disclosed
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-07-14 US disclosed
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-05-17 US disclosed
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-05-17 US disclosed
EP-3864021-A1 COMPOSITIONS AND METHODS FOR VISIBLE-LIGHT-CONTROLLED RUTHENIUM-CATALYZED OLEFIN METATHESIS The Trustees of Columbia University in the City of New York (US) 2021-08-18 EP disclosed
US-20200108381-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-04-09 US 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 (5 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 NFE2L2 364/4885MAOB 934/4885RAB9A 2695/4885
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB NFE2L2 186/4885MAOB 149/4885RAB9A 2203/4885
US-12377407-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB NFE2L2 186/4885MAOB 149/4885RAB9A 2203/4885
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis PPOX, CYBA, CYBB NFE2L2 186/4885MAOB 149/4885RAB9A 2203/4885
US-20200108381-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis PPOX, CYBA, CYBB NFE2L2 186/4885MAOB 149/4885RAB9A 2203/4885

“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.