SCHEMBL354324

SCHEMBL354324

COc1ccc2c(c1OC)CCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 3/20 1.00
HPGD P15428 2/20 1.00
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
ACHE P22303 1/20 0.54
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 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
SCHEMBL1274675 0.89 ALDH1A1 (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6112770 0.89 ALDH1A1 (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL611321 0.89 ALDH1A1 (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11627318 0.85 ALDH1A1 (0.73) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL388362 0.81 ALDH1A1 (0.69) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL31674038 0.81 KDM4E (0.69) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL836908 0.81 KDM4E (0.69) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL2591535 0.80 KDM4E (0.66) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL25171514 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3987174 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDGLAGAA

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20220265685-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2022-08-25 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
EP-3680237-A1 PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS Arrien Pharmaceuticals LLC (US) 2020-07-15 EP disclosed
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2020-06-16 US disclosed
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2020-06-16 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 EP disclosed
EP-0481705-A1 Process for the preparation of arylalkylamines and substituted arylalkylamines HOECHST CELANESE CORPORATION (US) 1992-04-22 EP disclosed
US-5041669-A Reacting alkyl aryl ketones with alkyl nitrites, extracting product, catalytically hydrogenating/reducing in nonaqueous acid mixture HOECHST CELANESE CORPORATION (US) 1991-08-20 US disclosed
US-4769368-A DOPAMINE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1988-09-06 US disclosed
EP-0233049-A1 2,3,4,8,9,9a-Hexahydro-4-aryl-1H-indeno[1,7-cd]azepines SMITHKLINE BECKMAN CORPORATION (US) 1987-08-19 EP disclosed
US-4505932-A AMINOMETHYL-DIHYDROXY (DIALKOXY)-INDOLE, HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1985-03-19 US disclosed
US-4071562-A 4,5-Dialkoxy-6 or 7-indanaldehydes MARION LABORATORIES, INC. (US) 1978-01-31 US disclosed
US-3963723-A HYPOTENSIVE MARION LABORATORIES, INC. (US) 1976-06-15 US disclosed
US-3962254-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-06-08 US disclosed
US-3954774-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-05-04 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 (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-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis RORA, RORB, RORC KDM4E 2385/4885ALDH1A1 699/4885HPGD 1584/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4478/4885ALDH1A1 2123/4885HPGD 1793/4885
US-20220265685-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE KDM4E 3495/4885ALDH1A1 2614/4885HPGD 3898/4885

“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.