SCHEMBL2840516

SCHEMBL2840516

COc1cc(C=O)ccc1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TSHR P16473 1/20 0.64
PDE4B Q07343 8/20 0.57
PDE3A Q14432 2/20 0.57
FDPS P14324 1/20 0.55
TTR P02766 1/20 0.51
ALDH1A3 P47895 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
AOX1 Q06278 1/20 0.50
RECQL P46063 1/20 0.50
TRIM24 O15164 1/20 0.50
HPGD P15428 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50

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
SCHEMBL2847455 0.98 ALDH1A1 (0.62) ALDH1A1TSHRPDE4BPDE3AFDPS
SCHEMBL70835 0.94 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE3APDE4A
SCHEMBL7560477 0.94 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE3APDE4A
SCHEMBL29808190 0.94 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE3APDE4A
SCHEMBL13522989 0.94 ALDH1A1 (0.68) ALDH1A1TSHRPDE4BPDE3AFDPS
SCHEMBL4637156 0.92 ALDH1A1 (0.62) ALDH1A1TSHRPDE4BPDE3APDE4A
SCHEMBL6883557 0.92 ALDH1A1 (0.66) ALDH1A1TSHRPDE4BPDE3AFDPS
SCHEMBL8845986 0.90 PDE4B (0.49) ALDH1A1TSHRPDE4BPDE3APDE4A
SCHEMBL5905463 0.89 PDE4B (0.48) ALDH1A1TSHRPDE4BPDE3APDE4A
SCHEMBL22713946 0.87 ALDH1A1 (0.68) ALDH1A1TSHRPDE4BPDE3AFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109855-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY (IL) 2024-04-04 US disclosed
EP-4277896-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B.G. Negev Technologies and Applications Ltd., at Ben-Gurion University (IL) 2023-11-22 EP disclosed
WO-2023018560-A1 BICYCLIC FUSED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY INFECTIONS INCLUDING RSV GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-02-16 WO disclosed
CN-109562160-B Bicyclic fused pyrazole derivatives for the treatment of RSV 乔治亚州立大学研究基金会股份有限公司 2022-07-29 CN disclosed
WO-2022153306-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2022-07-21 WO disclosed
US-20210040066-A1 TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-02-11 US disclosed
US-10906899-B2 Bicyclic fused pyrazole derivatives for the treatment of RSV GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-02-02 US disclosed
US-10906899-B2 Bicyclic fused pyrazole derivatives for the treatment of RSV GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-02-02 US disclosed
EP-3750886-A1 TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-12-16 EP disclosed
WO-2019154395-A1 TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 中国科学院上海药物研究所 2019-08-15 WO disclosed
US-6248743-B1 ANTITHROMBOTIC AGENTS EFFECTIVE TO INHIBIT THE PRODUCTION OF TYPE 1 PLASMINOGEN ACTIVATOR INHIBITOR (PAI-1) TANABE SEIYAKU CO., LTD. (JP) 2001-06-19 US disclosed
US-6248768-B1 PROSTAGLANDIN INHIBITOR; ANTIINFLAMMATORY AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-06-19 US disclosed
US-6180644-B1 TUMOR NECROSIS FACTOR INHIBITOR; ANTIINFLAMMATORY AGENT CELGENE CORPORATION 2001-01-30 US disclosed
EP-1060173-A2 BENZAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-12-20 EP disclosed
EP-0974589-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-01-26 EP disclosed
US-5968945-A Immunotherapeutic agents CELGENE CORPORATION (US) 1999-10-19 US disclosed
WO-1999032449-A2 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed
CN-1214678-A Butadiene derivatives and process for preparing thereof TANABE SEIYAKU CO (JP) 1999-04-21 CN disclosed
EP-0889879-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1999-01-13 EP disclosed
WO-1997036864-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1997-10-09 WO 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-20240109855-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME FPR1, FPR2, IL1B ALDH1A1 2719/4885TSHR 4219/4885PDE4B 680/4885
US-10906899-B2 Bicyclic fused pyrazole derivatives for the treatment of RSV NIPSNAP3A, ZC3HAV1, SARNP ALDH1A1 4237/4885TSHR 3818/4885PDE4B 3946/4885
US-20210040066-A1 TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PDE4B, PDE7B, PDE4A ALDH1A1 1376/4885TSHR 4492/4885PDE4B 1/4885

“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.