SCHEMBL4664796

SCHEMBL4664796

O=C(O)C(Cc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.56
PPARD Q03181 1/20 0.56
EPHX1 P07099 2/20 0.56
PPARG P37231 2/20 0.51
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
EPHX2 P34913 1/20 0.50
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CPA1 P15085 1/20 0.47
PTPN1 P18031 1/20 0.47
CYP1A2 P05177 1/20 0.46
UBE2N P61088 1/20 0.45

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
SCHEMBL9896517 0.93 PTGS1 (0.57) PPARAPPARDEPHX1PPARGPTGS1
SCHEMBL3079795 0.87 EPHX1 (0.71) EPHX1PTGS1CYP2C19P4HTMCPA1
SCHEMBL599399 0.87 EPHX1 (0.71) EPHX1PTGS1CYP2C19P4HTMCPA1
SCHEMBL67234 0.87 EPHX1 (0.71) EPHX1PTGS1CYP2C19P4HTMCPA1
SCHEMBL6958211 0.86 ESR1 (0.60) PPARAPPARDEPHX1PPARGPTGS1
SCHEMBL28835702 0.86 EPHX1 (0.77) PPARAPPARDEPHX1PPARGCYP2C19
SCHEMBL8672896 0.86 EPHX1 (0.53) PPARAPPARDEPHX1PPARGCYP2C19
Hydrochloric Acid SCHEMBL933353 0.85 EPHX1 (0.69) EPHX1PTGS1CYP2C19P4HTMCPA1
SCHEMBL12494672 0.84 CPA3 (0.50) PPARAPPARDEPHX1PPARGPTGS1
SCHEMBL5161421 0.84 ESR1 (0.61) EPHX1PPARGPTGS1PTGS2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704117-B1 AZABICYCLO DERIVATIVES FOR TREATING OCULAR DISORDERS ALCON INC (CH) 2026-01-28 EP disclosed
US-12247028-B2 Azabicyclo and diazepine derivatives ALCON INC. (CH) 2025-03-11 US disclosed
US-20240132497-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES ALCON INC. (CH) 2024-04-25 US disclosed
US-11884666-B2 Azabicyclo and diazepine derivatives ALCON INC. (CH) 2024-01-30 US disclosed
US-20220267328-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES ALCON INC. (CH) 2022-08-25 US disclosed
US-11306090-B2 Azabicyclo and diazepine derivatives ALCON INC. (CH) 2022-04-19 US disclosed
US-20210179616-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES ALCON INC. (CH) 2021-06-17 US disclosed
US-20210179616-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES ALCON INC. (CH) 2021-06-17 US disclosed
CN-111247147-A Azabicyclo and diazepatriene derivatives useful for treating ocular disorders 爱尔康公司 2020-06-05 CN disclosed
CN-100591652-C Method for producing 2-(4-fluoro-benzyl)-phenyl-acetic acid JANSSEN PHARMACEUTICA NV 2010-02-24 CN disclosed
CN-100591652-C Method for producing 2-(4-fluoro-benzyl)-phenyl-acetic acid JANSSEN PHARMACEUTICA NV 2010-02-24 CN disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
CN-101006039-A Method for producing 2-(4-fluoro-benzyl)-phenyl-acetic acid JANSSEN PHARMACEUTICA NV (BE) 2007-07-25 CN disclosed
CN-1886391-A Teramic acid and threonine as beta-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (8 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-11884666-B2 Azabicyclo and diazepine derivatives CHRM3, CHRM5, CHRNA5 PPARA 633/4885PPARD 384/4885EPHX1 1173/4885
US-20240132497-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES CHRM3, CHRM5, CHRNA5 PPARA 633/4885PPARD 384/4885EPHX1 1173/4885
US-20210179616-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES CHRM3, CHRM5, CHRNA5 PPARA 633/4885PPARD 384/4885EPHX1 1173/4885
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 PPARA 2704/4885PPARD 2836/4885EPHX1 2108/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 PPARA 2704/4885PPARD 2836/4885EPHX1 2108/4885
US-20220267328-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES CHRM3, CHRM5, CHRNA5 PPARA 633/4885PPARD 384/4885EPHX1 1173/4885
US-12247028-B2 Azabicyclo and diazepine derivatives CHRM3, CHRM5, CHRNA5 PPARA 633/4885PPARD 384/4885EPHX1 1173/4885
US-11306090-B2 Azabicyclo and diazepine derivatives CHRM3, CHRM5, CHRNA5 PPARA 633/4885PPARD 384/4885EPHX1 1173/4885

“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.