SCHEMBL8404223

SCHEMBL8404223

OC(/C=C/c1ccccc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRB2 P47870 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
CYP1A2 P05177 2/20 0.44
MAOB P27338 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFE2L2 Q16236 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 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
SCHEMBL6513848 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL8972871 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL6513856 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL8973181 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL8973184 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL8972865 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL27984377 0.83 CYP1A2 (0.47) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL10723686 0.82 GABBR2 (0.44) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL10723695 0.82 GABBR2 (0.44) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL7021780 0.79 GABRB2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3062885-A None JP disclosed
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
WO-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed
US-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 US disclosed
US-20210388007-A1 COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF WUHAN UNIVERSITY (CN) 2021-12-16 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 US disclosed
WO-2021150806-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2021-07-29 WO disclosed
EP-0566485-B1 Process for producing optically active halogen-containing alcohol SHOWA SHELL SEKIYU (JP) 1999-07-14 EP disclosed
US-5464772-A Process for producing optically active halogen-containing alcohols using lipase ay-120 from Candida rugosa SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1995-11-07 US disclosed
EP-0566485-A2 Process for producing optically active halogen-containing alcohol Showa Shell Sekiyu Kabushiki Kaisha (JP) 1993-10-20 EP disclosed
JP-H0362885-A OPTICALLY ACTIVE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT CONTAINING THE SAME SHARP CORP 1991-03-18 JP disclosed
US-4701569-A PERFLUOROALKYLATION OF CARBONYL COMPOUNDS IN PRESENCE OF ZINC IN ABSENCE OF ULTRASONIC WAVES RHONE-POULENC SPECIALTIES CHIMIQUES (FR) 1987-10-20 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 (4 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN GABBR2 3104/4885GABRB1 3523/4885GABRB2 3795/4885
US-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN GABBR2 3104/4885GABRB1 3523/4885GABRB2 3795/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN GABBR2 3104/4885GABRB1 3523/4885GABRB2 3795/4885
US-20210388007-A1 COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF CYP2F1, CYP4F3, CFH GABBR2 1166/4885GABRB1 2284/4885GABRB2 1884/4885

“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.