SCHEMBL8447454

SCHEMBL8447454

Cc1ccc(/C=C/Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.56
RELA Q04206 1/20 0.52
CA1 P00915 1/20 0.52
CYP2A6 P11509 1/20 0.50
FBP1 P09467 1/20 0.48
ALOX5 P09917 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL888505 1.00 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL24768620 1.00 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL3389003 0.88 CYP3A4 (0.55) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL11212004 0.87 MAOB (0.42) NFE2L2RELACA1ALOX5ALDH1A1
SCHEMBL11211999 0.87 MAOB (0.42) NFE2L2RELACA1ALOX5ALDH1A1
SCHEMBL11209918 0.87 MAOB (0.42) NFE2L2RELACA1ALOX5ALDH1A1
(E)-1,2-Di-P-Tolylethene SCHEMBL1793692 0.84 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6FBP1
(E)-1,2-Di-P-Tolylethene SCHEMBL1305582 0.84 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL318786 0.84 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6FBP1
(E)-1,2-Di-P-Tolylethene SCHEMBL1305580 0.84 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113511972-B (E) Process for preparing (E) -4-aryl-2, 2-difluoro-3-butenoic acid derivatives 昆明理工大学 2025-01-21 CN disclosed
US-20220396591-A1 METHOD FOR PREPARING ALKENYL AMINOBORANES AND THEIR DERIVATIVES, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-12-15 US disclosed
CN-115322081-A Synthesis method of alkyl alkenyl ketone 南京工业大学 2022-11-11 CN disclosed
US-5914071-A Difluoroethylene compounds and liquid crystal compositions containing them ASAHI GLASS COMPANY LTD. (JP) 1999-06-22 US disclosed
US-5663463-A Difluoroethylene compounds and liquid crystal compositions containing them ASAHI GLASS COMPANY LTD. (JP) 1997-09-02 US disclosed
EP-0560382-B1 Difluoroethylene compounds and liquid crystal compositions containing them ASAHI GLASS CO LTD (JP) 1996-07-03 EP disclosed
US-5516949-A LOW VISCOSITY AND PHOTOSTABLE ASAHI GLASS COMPANY LTD. (JP) 1996-05-14 US disclosed
US-5419851-A Difluoro-derivative compounds and liquid crystal compositions containing them ASAHI GLASS COMPANY LTD. (JP) 1995-05-30 US disclosed
EP-0628528-A1 DIFLUORIDE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME ASAHI GLASS COMPANY LTD. (JP) 1994-12-14 EP disclosed
EP-0560382-A1 Difluoroethylene compounds and liquid crystal compositions containing them ASAHI GLASS COMPANY LTD. (JP) 1993-09-15 EP disclosed
US-4405757-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics HOWELL BOBBY A 1983-09-20 US disclosed
US-4038273-A Piperidone intermediates useful in the preparation of aryldecahydropyrrolo [3,4-f]quinolines E. R. SQUIBB & SONS, INC. (US) 1977-07-26 US disclosed
US-3963724-A Intermediates useful in the preparation of aryldecahydropyrrolo[3,4-f]quinolines E. R. SQUIBB & SONS, INC. (US) 1976-06-15 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-20220396591-A1 METHOD FOR PREPARING ALKENYL AMINOBORANES AND THEIR DERIVATIVES, AND USES THEREOF CTBP2, HBG2, BCL9L NFE2L2 1121/4885RELA 4179/4885CA1 3366/4885

“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.