SCHEMBL22720189

SCHEMBL22720189

COc1ccc(Nc2ccccc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.71
AKR1C2 P52895 12/20 0.71
FABP3 P05413 1/20 0.68
FABP4 P15090 1/20 0.68
AKR1B10 O60218 1/20 0.67
AKR1B1 P15121 1/20 0.67
AKR1C4 P17516 1/20 0.67
AKR1C1 Q04828 1/20 0.67
KDM4E B2RXH2 1/20 0.65
APAF1 O14727 1/20 0.65
RECQL P46063 1/20 0.65
CASP6 P55212 1/20 0.65
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
MCL1 Q07820 1/20 0.65
CASP8 Q14790 1/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
CDC25B P30305 2/20 0.64

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
SCHEMBL6141457 0.98 AKR1C3 (0.70) AKR1C3AKR1C2FABP3FABP4AKR1B10
SCHEMBL6141423 0.92 AKR1C3 (0.70) AKR1C3AKR1C2FABP3FABP4AKR1B10
SCHEMBL22720113 0.92 MEN1 (0.72) AKR1C3AKR1C2FABP3FABP4KDM4E
SCHEMBL10834828 0.90 AKR1C3 (0.67) AKR1C3AKR1C2FABP3FABP4AKR1B10
SCHEMBL31494629 0.90 AKR1C3 (0.67) AKR1C3AKR1C2FABP3FABP4AKR1B10
SCHEMBL11108122 0.89 AKR1C3 (0.72) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL9232982 0.88 FABP3 (0.62) AKR1C3AKR1C2FABP3FABP4AKR1B10
SCHEMBL9095634 0.88 FABP3 (0.62) AKR1C3AKR1C2FABP3FABP4AKR1B10
SCHEMBL14376023 0.88 AKR1C3 (0.82) AKR1C3AKR1C2FABP3FABP4AKR1B10
SCHEMBL10652538 0.88 AKR1C3 (0.78) AKR1C3AKR1C2FABP3FABP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2026-02-10 US disclosed
US-20220227719-A1 A diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2022-07-21 US disclosed
CN-110229114-B Remove C2-toSymmetric diphenylamine type chiral bisoxazoline ligand and synthetic method and application thereof 浙江工业大学 2021-07-27 CN disclosed
WO-2020238559-A1 DE-C2-SYMMETRIC DIPHENYLAMINE-TYPE CHIRAL BISOXAZOLINE LIGAND, SYNTHESIS METHOD THEREFOR AND USE THEREOF 浙江工业大学 2020-12-03 WO disclosed
WO-2020238559-A1 DE-C2-SYMMETRIC DIPHENYLAMINE-TYPE CHIRAL BISOXAZOLINE LIGAND, SYNTHESIS METHOD THEREFOR AND USE THEREOF 浙江工业大学 2020-12-03 WO disclosed
CN-110229114-A Remove C2-symmetric diphenylamine type chiral bisoxazoline ligand and synthetic method and application thereof 浙江工业大学 2019-09-13 CN 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-20220227719-A1 A diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC1, AOC2, AOC3 AKR1C3 306/4885AKR1C2 355/4885FABP3 2264/4885
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC2, AOC1, AOC3 AKR1C3 108/4885AKR1C2 121/4885FABP3 3171/4885

“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.