SCHEMBL23303231

SCHEMBL23303231

O=c1ccc2cc3c(cc2o1)OC=CC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.47
▸ ACHE P22303 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MGAM O43451 1/20 0.47
▸ SI P14410 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47
▸ KDM4E B2RXH2 10/20 0.46
▸ ALDH1A1 P00352 10/20 0.46
▸ HPGD P15428 8/20 0.46
▸ LMNA P02545 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HSD17B10 Q99714 7/20 0.45
▸ CA9 Q16790 7/20 0.45
▸ MCL1 Q07820 5/20 0.45
▸ CA12 O43570 5/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ GLA P06280 2/20 0.45
▸ AKR1B1 P15121 2/20 0.45
▸ CASP1 P29466 2/20 0.45

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
SCHEMBL23302557 0.76 GAA (0.61) GAAACHENPC1MGAMSI
SCHEMBL14857485 0.76 CYP2A6 (0.35) ACHEKDM4EHSD17B10CYP3A4MAOA
SCHEMBL5579339 0.74 GAA (0.46) GAAACHENPC1MGAMSI
SCHEMBL3277376 0.71 GAA (0.49) GAAACHENPC1MGAMSI
SCHEMBL24788182 0.71 CA9 (0.47) GAAACHENPC1MGAMSI
SCHEMBL30536506 0.71 MEN1 (0.36) MEN1KMT2APOLB
SCHEMBL19038906 0.71 MEN1 (0.36) MEN1KMT2APOLB
SCHEMBL28994323 0.70 ALDH1A1 (0.59) GAAACHENPC1MGAMSI
SCHEMBL4740620 0.70 GAA (0.48) GAAACHENPC1MGAMSI
Ayapin SCHEMBL6694210 0.69 KDM4E (0.57) GAAACHENPC1MGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929711-A Use of novel compounds for preventing, ameliorating or treating amyotrophic lateral sclerosis PRG科技株式会社 2022-08-19 — — CN claimed
US-20220402930-A1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS PRG S&TECH INC. (KR) 2022-12-22 — — US disclosed
EP-4056573-A1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS PRG S&Tech Inc. (KR) 2022-09-14 — — EP disclosed
CN-114929711-A Use of novel compounds for preventing, ameliorating or treating amyotrophic lateral sclerosis PRG科技株式会社 2022-08-19 — — CN disclosed
WO-2021086101-A1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS (주)피알지에스앤텍 2021-05-06 — — 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 (1 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-20220402930-A1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS SOD1, SLC75A1, SLC43A1 GAA 1104/4885ACHE 1595/4885NPC1 1151/4885

“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.

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