SCHEMBL4949023

SCHEMBL4949023

CC(C=O)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.63
▸ AKR1C2 P52895 7/20 0.63
▸ LMNA P02545 5/20 0.63
▸ PTGS1 P23219 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ PTGS2 P35354 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ FABP2 P12104 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ AKR1C4 P17516 1/20 0.63
▸ ADRA2B P18089 1/20 0.63
▸ CHRM3 P20309 1/20 0.63
▸ HTR2C P28335 1/20 0.63
▸ DRD3 P35462 1/20 0.63
▸ AKR1C1 Q04828 1/20 0.63
▸ SLC22A6 Q4U2R8 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63

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
SCHEMBL7348404 1.00 AKR1C3 (0.63) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL2918748 1.00 AKR1C3 (0.63) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL10829871 0.84 AKR1C3 (0.59) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL6690493 0.82 APP (0.65) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL2739316 0.81 AKR1C3 (0.68) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL9420889 0.81 CSNK2A1 (0.42) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL27741049 0.80 AKR1C3 (0.55) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL7167173 0.80 GRIA4 (0.51) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL4948848 0.79 AKR1C3 (0.47) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL9446938 0.79 AKR1C3 (0.60) AKR1C3AKR1C2LMNAPTGS1MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998660-A BY-PRODUCT INHIBITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-07 — — US claimed
US-5739352-A Process for preparing carboxylic acids UNITED CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 — — US claimed
JP-55127336-A — — None — — JP disclosed
CN-120463591-A Preparation method of low-cost high-purity flurbiprofen 云南省药物研究所 2025-08-12 — — CN disclosed
US-20230293557-A1 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC CONDITIONS MEDICON PHARMACEUTICALS INC (US) 2023-09-21 — — US disclosed
US-11684652-B2 HMGB1 antagonist treatment of acute lung injury THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-06-27 — — US disclosed
US-11684652-B2 HMGB1 antagonist treatment of acute lung injury THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-06-27 — — US disclosed
US-20230149505-A1 HMGB1 ANTAGONIST TREATMENT OF SEVERE SEPSIS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-05-18 — — US disclosed
US-20230149505-A1 HMGB1 ANTAGONIST TREATMENT OF SEVERE SEPSIS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-05-18 — — US disclosed
US-11524048-B2 HMGB1 antagonist treatment of severe sepsis THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2022-12-13 — — US disclosed
CN-107847484-B Nitroxide free radicals for the treatment of respiratory diseases 耶路撒冷希伯来大学伊森姆研究发展公司 2021-07-06 — — CN disclosed
WO-2010009215-A1 NICOTINIC ACID RECEPTOR AGONIST COMPOUNDS USEFUL TO TREAT METABOLIC SYNDROMES SCHERING CORPORATION (US) 2010-01-21 — — WO disclosed
WO-2010009212-A1 NIACIN DERIVATIVES USEFUL TO TREAT METABOLIC SYNDROMES SCHERING CORPORATION (US) 2010-01-21 — — WO disclosed
WO-2008115385-A2 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
WO-2008074717-A2 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYLPROPANOLS HAVING A PROFEN-LIKE SUBSTITUTED ARYL RESIDUE ALMA MATER STUDIORUM - UNIVERSITA DI BOLOGNA (IT) 2008-06-26 — — WO disclosed
CN-1138764-C Isoxazole derivatives ס����ҩ��ʽ���� 2004-02-18 — — CN disclosed
CN-1252794-A Isoxazole derivatives SUMITOMO PHARMA (JP) 2000-05-10 — — CN disclosed
US-5998660-A BY-PRODUCT INHIBITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-07 — — US disclosed
US-5739352-A Process for preparing carboxylic acids UNITED CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 — — US disclosed
JP-S55127336-A PREPARATION OF ALPHA-(2-FLUORO-4-(1,1'-BIPHENYLYL))-PROPANAL DAITO KOEKI KK 1980-10-02 — — JP 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-20230149505-A1 HMGB1 ANTAGONIST TREATMENT OF SEVERE SEPSIS HMGB1, HMGB3, HMGB2 AKR1C3 2471/4885AKR1C2 3808/4885LMNA 607/4885
US-11524048-B2 HMGB1 antagonist treatment of severe sepsis HMGB1, HMGB3, HMGB2 AKR1C3 2471/4885AKR1C2 3808/4885LMNA 607/4885
US-11684652-B2 HMGB1 antagonist treatment of acute lung injury HMGB1, HMGB3, HMGB2 AKR1C3 2128/4885AKR1C2 3346/4885LMNA 235/4885
US-20230293557-A1 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC CONDITIONS PDE6C, PDE6H, PDE6D AKR1C3 191/4885AKR1C2 245/4885LMNA 816/4885

“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.

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