SCHEMBL5110018

SCHEMBL5110018

COC(=O)C(C)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.74
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
CYP2D6 P10635 1/20 0.67
PTGS2 P35354 1/20 0.64
ALOX5 P09917 1/20 0.56
GLI1 P08151 1/20 0.54
GLI2 P10070 1/20 0.54
ACACB O00763 1/20 0.50
ACACA Q13085 1/20 0.50
NPY5R Q15761 1/20 0.49
FFAR1 O14842 1/20 0.49
MAPK1 P28482 1/20 0.49
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
AKR1C3 P42330 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8755064 1.00 PTGS1 (0.74) PTGS1KMT2AMEN1CYP2D6PTGS2
SCHEMBL24476961 0.88 PTGS1 (0.58) PTGS1KMT2AMEN1CYP2D6PTGS2
SCHEMBL28450157 0.88 PTGS1 (0.74) PTGS1KMT2AMEN1CYP2D6PTGS2
SCHEMBL28450158 0.88 PTGS1 (0.74) PTGS1KMT2AMEN1CYP2D6PTGS2
SCHEMBL11320693 0.86 PTGS1 (0.63) PTGS1KMT2AMEN1CYP2D6PTGS2
SCHEMBL6922515 0.86 PTGS1 (0.72) PTGS1KMT2AMEN1CYP2D6PTGS2
SCHEMBL11759879 0.86 PTGS1 (0.72) PTGS1KMT2AMEN1CYP2D6PTGS2
SCHEMBL5352751 0.85 PTGS1 (0.60) PTGS1KMT2AMEN1PTGS2L3MBTL1
Fenoprofen SCHEMBL8754928 0.85 PTGS1 (1.00) PTGS1KMT2AMEN1CYP2D6PTGS2
(S)-Fenoprofen SCHEMBL4492279 0.85 PTGS1 (1.00) PTGS1KMT2AMEN1CYP2D6PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4357346-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF Coval Biopharma (Shanghai) Co., Ltd. (CN) 2024-04-24 EP disclosed
WO-2023001045-A9 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-10-26 WO disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
WO-2023001045-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-01-26 WO disclosed
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-06-02 US disclosed
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-01-06 US disclosed
CN-105669531-B The prodrug of non-steroidal anti-inflammatory drugs with fast skin and membranes penetration speed and its new medical usage 于崇曦 2019-05-07 CN disclosed
CN-105820107-A Prodrug of non-steroidal anti-inflammatory drug with rapid skin and biomembrane penetration velocity and novel medical application thereof 于崇曦 2016-08-03 CN disclosed
CN-105669531-A Prodrug of non-steroidal anti-inflammatory drug having high skin and biological membrane penetration speed and novel medical application thereof 于崇曦 2016-06-15 CN disclosed
US-4242519-A DRUG INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-12-30 US disclosed
US-4237298-A Aromatic acetic acid derivatives having sulfur atom at alpha-position and process for their preparation SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-12-02 US disclosed
US-4226790-A ALKANOATE SALTS, WITH PEROXY CARBOXYLIC ACID, MANGANESE SALT THE UPJOHN COMPANY (US) 1980-10-07 US disclosed
US-4145557-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4144248-A Aromatic acetic acid derivatives having sulfur atom at alpha-position and process for their preparation SAGAMI CHEMICAL RESEARCH CENTER (JP) 1979-03-13 US disclosed
US-4142054-A TRIVALENT THALLIUM SALT THE UPJOHN COMPANY (US) 1979-02-27 US disclosed
US-4135051-A ENOL ETHER OF AN ARYL ALKYL KETONE WITH A THALLIJM SALT, REGENERATION OF THALLIUM SALT BY ADDING PERACID AND REACTIVE METAL COMPOUND THE UPJOHN COMPANY (US) 1979-01-16 US disclosed
US-4062895-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-12-13 US disclosed
US-4001322-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3972934-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1976-08-03 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 (3 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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH PTGS1 3936/4885KMT2A 867/4885MEN1 2782/4885
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH PTGS1 3936/4885KMT2A 867/4885MEN1 2782/4885
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST PPOX, CYCS, SCO2 PTGS1 4156/4885KMT2A 2913/4885MEN1 4494/4885

“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.