SCHEMBL3134563

SCHEMBL3134563

CCOc1cc(C=O)ccc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
ALDH1A1 P00352 6/20 0.54
PDE4B Q07343 3/20 0.54
PDE3A Q14432 2/20 0.54
KDM4E B2RXH2 1/20 0.53
TACR2 P21452 1/20 0.51
HPGD P15428 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FDPS P14324 1/20 0.44
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5905248 0.99 POLB (0.59) POLBALDH1A1PDE4BPDE3AKDM4E
SCHEMBL4944263 0.96 ALDH1A1 (0.58) POLBALDH1A1PDE4BPDE3AKDM4E
SCHEMBL498270 0.94 POLB (0.60) POLBALDH1A1PDE4BPDE3AKDM4E
SCHEMBL5905154 0.93 POLB (0.59) POLBALDH1A1PDE4BPDE3AKDM4E
SCHEMBL8845986 0.86 PDE4B (0.49) POLBALDH1A1PDE4BPDE3A
SCHEMBL25191808 0.86 ALDH1A1 (0.54) POLBALDH1A1PDE4BPDE3AKDM4E
SCHEMBL25187272 0.85 ALDH1A1 (0.48) POLBALDH1A1PDE4BPDE3AKDM4E
SCHEMBL5905463 0.85 PDE4B (0.48) POLBALDH1A1PDE4BPDE3AHPGD
SCHEMBL2840516 0.84 ALDH1A1 (0.64) ALDH1A1PDE4BPDE3AHPGDTDP1
SCHEMBL2847455 0.82 ALDH1A1 (0.62) ALDH1A1PDE4BPDE3AFDPS

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767295-B2 Isoindole derivative TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2023-09-26 US disclosed
US-20210155590-A1 ISOINDOLE DERIVATIVE TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2021-05-27 US disclosed
EP-3782983-A1 ISOINDOLE DERIVATIVE Tianjin Hemay Pharmaceutical Co., Ltd. (CN) 2021-02-24 EP disclosed
WO-2019201255-A1 ISOINDOLE DERIVATIVE 天津合美医药科技有限公司 2019-10-24 WO disclosed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed
US-20060264477-A1 Methods of using cyclic amides MULLER GEORGE W 2006-11-23 US disclosed
US-7081464-B2 Topical compositions of cyclic amides as immunotherapeutic agents CELGENE CORPORATION (US) 2006-07-25 US disclosed
US-20060003979-A1 Topical compositions of cyclic amides as immunotherapeutic agents CELGENE CORPORATION 2006-01-05 US disclosed
US-20050096355-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2005-05-05 US disclosed
US-20030114516-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2003-06-19 US disclosed
US-6518281-B2 Heterocyclic amides/imides as inhibitors of tumor necrosis factor alpha and nuclear factor kappa B and phosphodi-esterases III and IV; used to combat cachexia, endotoxic shock, retrovirus replication and asthma; antiinflammatory CELGENE CORPORATION 2003-02-11 US disclosed
US-20020002188-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2002-01-03 US disclosed
US-6180644-B1 TUMOR NECROSIS FACTOR INHIBITOR; ANTIINFLAMMATORY AGENT CELGENE CORPORATION 2001-01-30 US disclosed
US-5968945-A Immunotherapeutic agents CELGENE CORPORATION (US) 1999-10-19 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 (7 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-11767295-B2 Isoindole derivative COX4I1, ALDH1A2, GDI2 POLB 3295/4885ALDH1A1 78/4885PDE4B 1378/4885
US-20050096355-A1 Novel immunotherapeutic agents STING1, RNASE1, CGAS POLB 420/4885ALDH1A1 2933/4885PDE4B 15/4885
US-20020002188-A1 Novel immunotherapeutic agents STING1, RNASE1, CGAS POLB 554/4885ALDH1A1 3254/4885PDE4B 13/4885
US-20210155590-A1 ISOINDOLE DERIVATIVE COX4I1, ALDH1A2, GDI2 POLB 3295/4885ALDH1A1 78/4885PDE4B 1378/4885
US-20030114516-A1 Novel immunotherapeutic agents STING1, RNASE1, CGAS POLB 554/4885ALDH1A1 3254/4885PDE4B 13/4885
US-20060003979-A1 Topical compositions of cyclic amides as immunotherapeutic agents TSLP, STING1, CGAS POLB 107/4885ALDH1A1 3455/4885PDE4B 21/4885
US-20060264477-A1 Methods of using cyclic amides RNASE1, RNGTT, CGAS POLB 112/4885ALDH1A1 3605/4885PDE4B 10/4885

“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.