SCHEMBL646093

SCHEMBL646093

Oc1cccc2ocnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
METAP2 P50579 2/20 0.42
MMP2 P08253 2/20 0.42
RAB9A P51151 2/20 0.42
CHRM1 P11229 1/20 0.42
COMT P21964 1/20 0.42
ADRA1A P35348 1/20 0.42
METAP1 P53582 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.41
PIN1 Q13526 2/20 0.38
KDM4E B2RXH2 7/20 0.36
ALOX12 P18054 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL27527824 0.83 TOP2A (0.42) ALDH1A1MAPTRAB9AGAAKMT2A
Ethyl Acetate SCHEMBL1068768 0.80 CA12 (0.44) ALDH1A1TSHRMAPTRAB9APIN1
SCHEMBL1365239 0.77 NR4A2 (0.39) PIN1
SCHEMBL13857953 0.74 PSMD14 (0.42) PIN1
SCHEMBL288687 0.74 PIN1 (0.35) PIN1
SCHEMBL288688 0.74 ELANE (0.43) ALDH1A1TSHRADRA1AACHEPIN1
SCHEMBL3356073 0.74 NR4A2 (0.38) ALDH1A1MAPTRAB9AGAAKMT2A
SCHEMBL926877 0.74 HSD17B10 (0.36) ALDH1A1TSHRMAPTGAAKMT2A
SCHEMBL2005830 0.74 PIN1 (0.40) ALDH1A1RAB9AGAAKMT2APIN1
SCHEMBL1881059 0.74 PIN1 (0.40) ALDH1A1TSHRMAPTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137541-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2025-06-26 WO disclosed
CN-118420543-A Tumor inhibitor targeting EP300 mutation and application thereof 上海美得诺瓦生物医药科技有限公司 2024-08-02 CN disclosed
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 CN disclosed
EP-4065570-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2022-10-05 EP disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-20200369613-A1 INTEGRIN LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2020-11-26 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO disclosed
EP-0681216-A1 Photographic colour developing process Agfa-Gevaert AG (DE) 1995-11-08 EP disclosed
EP-0681216-A1 Photographic colour developing process Agfa-Gevaert AG (DE) 1995-11-08 EP disclosed
US-5114462-A Herbicides as plant growth regulators, phenoxypropionic acid esters and derivatives CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
US-5078780-A Plant safening agents for use with herbicides CIBA-GEIGY CORPORATION (US) 1992-01-07 US disclosed
US-4944790-A PLANT SAFENING AGENTS FOR USE WITH CERTAIN HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-07-31 US disclosed
US-4579865-A ANTIISCHEMIC, HYPOGLYCEMIC AGENTS USV PHARMACEUTICAL CORP. (US) 1986-04-01 US disclosed
EP-0116938-A1 Benzoheterocyclic carbamates USV PHARMACEUTICAL CORPORATION (US) 1984-08-29 EP disclosed
US-4009038-A CYAN COUPLER, A 2-(2'-HYDROXYPHENYL)BENZOTRIAZOLE FUJI PHOTO FILM CO., LTD. (JA) 1977-02-22 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA ALDH1A1 675/4885TSHR 971/4885MAPT 4512/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB ALDH1A1 683/4885TSHR 733/4885MAPT 4590/4885
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA ALDH1A1 4050/4885TSHR 3329/4885MAPT 4822/4885
US-20200369613-A1 INTEGRIN LIGANDS AND USES THEREOF ITGB6, ITGA6, ITGAV ALDH1A1 3118/4885TSHR 1760/4885MAPT 4434/4885

“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.