SCHEMBL736351

SCHEMBL736351

COc1ccc(C=O)c(Cl)c1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 3/20 0.47
ERN1 O75460 2/20 0.45
AMY1A P0DUB6 2/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
SRC P12931 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42

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
SCHEMBL29628664 0.85 ALDH1A1 (0.47) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL4011543 0.85 ALDH1A1 (0.47) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL4898660 0.84 ALDH1A1 (0.50) POLBALDH1A1ERN1KDM4ETSHR
SCHEMBL8731801 0.83 POLB (0.44) POLBALDH1A1ERN1KDM4ETSHR
SCHEMBL4520879 0.83 ALDH1A1 (0.40) POLBALDH1A1ERN1KDM4ETSHR
SCHEMBL31474876 0.82 ALDH1A1 (0.56) POLBALDH1A1ERN1KDM4ETSHR
SCHEMBL269268 0.82 ALDH1A1 (0.56) POLBALDH1A1ERN1KDM4ETSHR
SCHEMBL19330829 0.81 ALDH1A1 (0.47) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL194593 0.81 ALDH1A1 (0.47) POLBALDH1A1ERN1KDM4ETSHR
SCHEMBL1030266 0.81 POLB (0.47) POLBALDH1A1AMY1AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110606855-B Polysubstituted benzothienoisoquinoline, derivative and synthesis method thereof 湘潭大学 2022-03-18 CN claimed
CN-113698365-A Preparation method of cefditoren side chain 成都大学 2021-11-26 CN claimed
CN-110606855-A Polysubstituted benzothienoisoquinoline, derivative and synthesis method thereof 湘潭大学 2019-12-24 CN claimed
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
CN-114746418-B Monocyclic beta-lactam compounds and uses thereof 苏州信诺维医药科技股份有限公司 2024-11-12 CN disclosed
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 US disclosed
EP-4389752-A1 CAMPTOTHECIN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Simcere Zaiming Pharmaceutical Co., Ltd. (CN) 2024-06-26 EP disclosed
CN-118063409-A Preparation method of cefdinir and intermediate thereof 江苏美迪克化学品有限公司 2024-05-24 CN disclosed
EP-4347607-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2024-04-10 EP disclosed
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 CN disclosed
CN-117069569-A Method for preparing 2-chloro-3-hydroxy-4-methoxybenzaldehyde by adopting dynamic tubular reactor 济南大学 2023-11-17 CN disclosed
US-4359464-A 3-Furylmethyl-6-halo-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines and antihypertensive use thereof SMITHKLINE BECKMAN CORPORATION (US) 1982-11-16 US disclosed
US-4352754-A HYPOTENSIVE, ANTI-PARKINSON SMITHKLINE CORPORATION (US) 1982-10-05 US disclosed
US-4255422-A DIURETICS, TREATMENT OF CARDIOVASCULAR DISORDERS SMITHKLINE CORPORATION (US) 1981-03-10 US disclosed
US-4206210-A PARKINSON'S DISEASE SMITHKLINE CORPORATION (US) 1980-06-03 US disclosed
US-4192872-A ANTI -PARKINSONISM ACTIVITY SMITHKLINE CORPORATION (US) 1980-03-11 US disclosed
US-4172890-A CARDIOVASCULAR, PARKINSON'S DISEASE, DOPAMINERGIC SMITHKLINE CORPORATION (US) 1979-10-30 US disclosed
US-4160765-A Method for 6-bromination of 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine compounds SMITHKLINE CORPORATION (US) 1979-07-10 US disclosed
US-4108989-A TREATING PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS SMITHKLINE CORPORATION (US) 1978-08-22 US disclosed
US-4104379-A DOPAMINERGIC ACTIVITY SMITHKLINE CORPORATION (US) 1978-08-01 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 (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-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL POLB 2001/4885ALDH1A1 2794/4885ERN1 1534/4885
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL POLB 2001/4885ALDH1A1 2794/4885ERN1 1534/4885

“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.