SCHEMBL727222

SCHEMBL727222

CC(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
RECQL P46063 2/20 0.52
KDM4E B2RXH2 1/20 0.52
DBH P09172 1/20 0.52
GAA P10253 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GSK3B P49841 2/20 0.46
LMNA P02545 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL2918747 0.94 CES2 (0.48) CES2CES1RECQLKDM4EDBH
SCHEMBL9337960 0.88 ESR1 (0.49) CES2CES1RECQLKDM4EDBH
SCHEMBL10121174 0.87 KDM4E (0.62) CES2CES1RECQLKDM4EDBH
SCHEMBL5783383 0.84 CES2 (0.52) CES2CES1RECQLCA1CA2
SCHEMBL20703078 0.84 CES2 (0.52) CES2CES1RECQLCA1CA2
SCHEMBL23544612 0.84 CES2 (0.52) CES2CES1RECQLCA1CA2
SCHEMBL5011661 0.84 CES2 (0.52) CES2CES1RECQLCA1CA2
SCHEMBL634337 0.84 CES2 (0.52) CES2CES1RECQLCA1CA2
SCHEMBL7778212 0.82 CES2 (0.50) CES2CES1RECQLCA1CA2
SCHEMBL13825299 0.82 CES2 (0.50) CES2CES1RECQLCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYSOWAY THERAPEUTICS INC (US) 2025-10-30 US disclosed
CN-115894447-B METTL3 inhibitors and uses thereof 成都先导药物开发股份有限公司 2024-10-01 CN disclosed
US-20240109839-A1 NOVEL COMPOUND EXHIBITING ANTI-INFLAMMATORY ACTIVITY AS P38 MAP KINASE INHIBITOR PRAZERTHERAPEUTICS INC. (KR) 2024-04-04 US disclosed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 EP disclosed
CN-117136177-A Novel compounds exhibiting anti-inflammatory activity as P38MAP kinase inhibitors 普瑞泽治疗公司 2023-11-28 CN disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
EP-4273120-A1 NOVEL COMPOUND EXHIBITING ANTI-INFLAMMATORY ACTIVITY AS P38 MAP KINASE INHIBITOR Prazertherapeutics Inc. (KR) 2023-11-08 EP disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
EP-0391212-B1 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1994-05-25 EP disclosed
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 EP disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed
US-RE30634-E INSECTICIDES SHELL OIL COMPANY (US) 1981-06-02 US disclosed
EP-0009865-A1 Process for the stereoselective synthesis of the E isomer of aryl alkyl oximes RHONE-POULENC INC. (US) 1980-04-16 EP disclosed
US-4158015-A Process for the stereoselective synthesis of the E isomer of aryl alkyl oximes MOBIL OIL CORPORATION (US) 1979-06-12 US disclosed
US-4079149-A INSECTICIDES SHELL OIL COMPANY (US) 1978-03-14 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 (5 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-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 CES2 3486/4885CES1 4185/4885RECQL 858/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CES2 1447/4885CES1 1964/4885RECQL 403/4885
US-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CES2 1447/4885CES1 1964/4885RECQL 403/4885
US-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF STOML2, ATP2A3, ATP2A1 CES2 1765/4885CES1 1397/4885RECQL 1282/4885
US-20240109839-A1 NOVEL COMPOUND EXHIBITING ANTI-INFLAMMATORY ACTIVITY AS P38 MAP KINASE INHIBITOR MAPK1, MAPKAPK2, MAPKAPK5 CES2 4496/4885CES1 2673/4885RECQL 4859/4885

“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.