SCHEMBL2084857

SCHEMBL2084857

CC(=O)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
ACHE P22303 1/20 0.59
KMT2A Q03164 4/20 0.58
HSD17B10 Q99714 2/20 0.58
MEN1 O00255 1/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL29740524 1.00 ALDH1A1 (0.59) ALDH1A1ACHEKMT2AHSD17B10MEN1
Ethylene SCHEMBL9101813 0.97 ALDH1A1 (0.56) ALDH1A1ACHEKMT2AHSD17B10MEN1
Ethylene Glycol SCHEMBL7141967 0.95 ALDH1A1 (0.55) ALDH1A1ACHEKMT2AHSD17B10MEN1
SCHEMBL7443883 0.95 HDAC8 (0.65) ALDH1A1ACHEKMT2AHSD17B10MEN1
SCHEMBL10913404 0.93 HDAC8 (0.68) ALDH1A1KMT2AMEN1HDAC8HDAC3
SCHEMBL10495286 0.93 HDAC8 (0.68) ALDH1A1KMT2AMEN1HDAC8HDAC3
SCHEMBL133683 0.89 KMT2A (0.59) ALDH1A1KMT2AHSD17B10MEN1HDAC8
SCHEMBL12134373 0.86 ALDH1A1 (0.66) ALDH1A1ACHEKMT2AHSD17B10MEN1
SCHEMBL11754615 0.85 ALDH1A1 (0.62) ALDH1A1ACHEKMT2AHSD17B10MEN1
SCHEMBL5041554 0.84 ALDH1A1 (0.60) ALDH1A1ACHEKMT2AHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132517-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF GOHARMONY THERAPEUTICS (SHENZHEN) CO., LTD. (CN) 2024-04-25 US disclosed
WO-2024076635-A2 SUPPRESSORS OF SITE IQ ELECTRON LEAK AND USES THEREOF BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2024-04-11 WO disclosed
CN-116829562-A Macrocyclic compound, pharmaceutical composition and application thereof 深圳国顺康医药科技有限公司 2023-09-29 CN disclosed
US-20230133656-A1 HYDROGEL COMPOSITIONS AND USES THEREOF SHOICHET, MOLLY SANDRA (CA) 2023-05-04 US disclosed
WO-2022171139-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 北京国鸿生物医药科技有限公司 2022-08-18 WO disclosed
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
CN-110950890-B Substituted imidazo [4,5-c ] quinoline macrocycles as multi-target kinase inhibitors 北京赛林泰医药技术有限公司 2022-07-01 CN disclosed
US-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS UNIV NEW YORK STATE RES FOUND (US) 2022-01-27 US disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 US disclosed
EP-0511271-A1 THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
EP-0496700-A1 Diphosphines containing silane groups, immobilized diphosphines and their use as hydrogenation catalysts CIBA-GEIGY AG (CH) 1992-07-29 EP disclosed
WO-1991010656-A1 THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed
WO-1991010657-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed
EP-0415948-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-($g(v)-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1991-03-13 EP disclosed
WO-1989010360-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-(omega-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1989-11-02 WO disclosed
US-RE32868-E Antihyperlipidemic compositions RESEARCH CORPORATION (US) 1989-02-14 US disclosed
US-4395417-A Antihyperlipidemic compositions RESEARCH CORPORATION (US) 1983-07-26 US disclosed
US-4160862-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1979-07-10 US disclosed
US-4021431-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-05-03 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-20230133656-A1 HYDROGEL COMPOSITIONS AND USES THEREOF CD44, UACA, ALDH1A2 ALDH1A1 160/4885ACHE 3731/4885KMT2A 4308/4885
US-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 ALDH1A1 2232/4885ACHE 3588/4885KMT2A 2685/4885
US-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS LPCAT3, PLAAT2, PLA2G4B ALDH1A1 3288/4885ACHE 272/4885KMT2A 1657/4885
US-20240132517-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF SRC, FLT3, BRAF ALDH1A1 4014/4885ACHE 1427/4885KMT2A 2153/4885

“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.