SCHEMBL8102586

SCHEMBL8102586

CCCCCC(O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
HTR7 P34969 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 1/20 0.42
PTGER2 P43116 1/20 0.41
SLC18A3 Q16572 1/20 0.40

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
SCHEMBL9906758 0.98 AOC3 (0.49) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL10327448 0.98 AOC3 (0.49) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL19391256 0.98 AOC3 (0.49) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL18503058 0.94 AOC3 (0.52) AOC3MEN1KMT2AHTR7SIGMAR1
SCHEMBL13670751 0.93 AOC3 (0.45) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL13262326 0.88 AOC3 (0.53) AOC3MEN1KMT2ASIGMAR1KDM4E
SCHEMBL906150 0.88 AOC3 (0.53) AOC3MEN1KMT2ASIGMAR1KDM4E
SCHEMBL9622464 0.85 MEN1 (0.45) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL9622461 0.83 MEN1 (0.41) AOC3MEN1KMT2AS1PR2S1PR1
Hydrochloric Acid SCHEMBL9621998 0.82 MEN1 (0.49) AOC3MEN1KMT2AS1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025020191-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 WO disclosed
WO-2025021193-A1 STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 WO disclosed
WO-2023143398-A1 STEROID AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 珂阑(上海)医药科技有限公司 2023-08-03 WO disclosed
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 US disclosed
EP-3731840-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF Orfan Biotech Inc. (US) 2020-11-04 EP disclosed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO 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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS AOC3 56/4885MEN1 3943/4885KMT2A 3407/4885

“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.