SCHEMBL63899

SCHEMBL63899

COc1cccc(C=O)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.61
TLR2 O60603 1/20 0.61
TLR1 Q15399 1/20 0.61
TLR6 Q9Y2C9 1/20 0.61
SRC P12931 1/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 1/20 0.43
NFE2L2 Q16236 3/20 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
SCHEMBL17894427 0.84 TLR2 (0.46) ERN1TLR2TLR1TLR6SRC
SCHEMBL29746159 0.84 ERN1 (0.53) ERN1TLR2TLR1TLR6SRC
SCHEMBL15028567 0.82 TLR2 (0.46) ERN1TLR2TLR1TLR6LMNA
SCHEMBL15012751 0.82 TLR2 (0.46) ERN1TLR2TLR1TLR6LMNA
SCHEMBL4898660 0.82 ALDH1A1 (0.50) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL23633015 0.80 ALDH1A1 (0.46) ERN1TLR2TLR1TLR6SRC
SCHEMBL31362059 0.80 ERN1 (0.61) ERN1TLR2TLR1TLR6SRC
SCHEMBL16959417 0.80 ALDH1A1 (0.43) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL2988767 0.80 ERN1 (0.61) ERN1TLR2TLR1TLR6SRC
SCHEMBL16951057 0.80 TLR2 (0.47) ERN1TLR2TLR1TLR6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997096-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-08-28 EP claimed
CN-118488953-A Bicyclic heterocyclic compounds useful as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2024-08-13 CN claimed
US-20220242876-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-04 US claimed
CN-110606855-B Polysubstituted benzothienoisoquinoline, derivative and synthesis method thereof 湘潭大学 2022-03-18 CN claimed
CN-110684997-B Zinc-plating electroplating liquid and preparation method thereof 广州三孚新材料科技股份有限公司 2021-02-19 CN claimed
EP-3737680-A1 OCTAHYDROPYRIDO[1,2-ALPHA]PYRAZINES AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2020-11-18 EP claimed
CN-110684997-A Zinc-plating electroplating liquid and preparation method thereof 广州三孚新材料科技股份有限公司 2020-01-14 CN claimed
CN-110606855-A Polysubstituted benzothienoisoquinoline, derivative and synthesis method thereof 湘潭大学 2019-12-24 CN claimed
WO-2019134985-A1 OCTAHYDROPYRIDO[1,2-ALPHA]PYRAZINES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-07-11 WO claimed
CN-104327106-A Preparation method of high-sterically-hindered arylborate compound SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-02-04 CN claimed
US-12637454-B2 Heterocyclic monoacylglycerol lipase (MAGL) inhibitors HOFFMANN-LA ROCHE INC. (US) 2026-05-26 US disclosed
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS PARDES BIOSCIENCES INC (US) 2026-04-30 US disclosed
US-12576156-B2 Compound comprising self-immolative group and ligand-drug conjugate comprising same TRIOAR, INC. (KR) 2026-03-17 US disclosed
EP-4689155-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS Astrazeneca AB (SE) 2026-02-11 EP disclosed
EP-4630410-A1 POLQ INHIBITORS Astrazeneca AB (SE) 2025-10-15 EP disclosed
CN-1044652-A Pyrrolidine compound and its pharmaceutical use EISAI CO LTD (JP) 1990-08-15 CN disclosed
EP-0381235-A2 Pyrrolidine compound and pharmaceutical use Eisai Co., Ltd. (JP) 1990-08-08 EP disclosed
EP-0011279-B1 PROCESS FOR THE PREPARATION OF AROMATICALLY SUBSTITUTED ACETIC ACIDS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-05-05 EP disclosed
US-4268442-A REACTING AN AROMATIC ALKEHYDE WITH A TRIHALOMETHANE AND AN ALKANETHIOL IN THE PRESENCE OF A BASE AND AN APROTIC SOLVENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-05-19 US disclosed
US-4024274-A Benzylamine derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 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 (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-20220242876-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP1A2 ERN1 2020/4885TLR2 4137/4885TLR1 4181/4885
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS CTRC, CTRL, CTSL ERN1 607/4885TLR2 3834/4885TLR1 3910/4885
US-12576156-B2 Compound comprising self-immolative group and ligand-drug conjugate comprising same SLC7A1, CLTC, MSR1 ERN1 3479/4885TLR2 1090/4885TLR1 319/4885
US-12637454-B2 Heterocyclic monoacylglycerol lipase (MAGL) inhibitors MGLL, LIPA, LIPC ERN1 1772/4885TLR2 4657/4885TLR1 4338/4885

“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.