SCHEMBL19329906

SCHEMBL19329906

CCCCCCNCC(O)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.54
▸ ADRB2 P07550 5/20 0.52
▸ ADRB1 P08588 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SLC22A1 O15245 1/20 0.49
▸ CHRM2 P08172 1/20 0.49

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
SCHEMBL19329761 1.00 ALDH1A1 (0.54) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Bamethan SCHEMBL120958 0.93 ALDH1A1 (0.58) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Bamethan SCHEMBL19329744 0.93 ALDH1A1 (0.58) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Acetic Acid SCHEMBL20915051 0.93 ADRB2 (0.50) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Acetic Acid SCHEMBL19329934 0.93 ADRB2 (0.50) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Bamethan SCHEMBL6456972 0.92 ALDH1A1 (0.56) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Bamethan SCHEMBL120957 0.89 ALDH1A1 (0.50) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Bamethan SCHEMBL1568806 0.89 ALDH1A1 (0.50) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Bamethan SCHEMBL21693928 0.88 ALDH1A1 (0.49) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A
Bamethan SCHEMBL23466818 0.87 ALDH1A1 (0.49) ALDH1A1HIF1AKDM4ESMN1; SMN2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2019-04-25 — — US claimed
EP-3426239-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA Atrogi AB (SE) 2019-01-16 — — EP claimed
WO-2017153737-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2017-09-14 — — WO claimed
US-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2019-04-25 — — US disclosed
US-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2019-04-25 — — US disclosed
WO-2019053428-A1 BETA-HYDROXYETHYLAMINES FOR USE IN THE TREATMENT OR PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASES ATROGI AB (SE) 2019-03-21 — — WO disclosed
WO-2019053428-A1 BETA-HYDROXYETHYLAMINES FOR USE IN THE TREATMENT OR PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASES ATROGI AB (SE) 2019-03-21 — — WO disclosed
EP-3426239-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA Atrogi AB (SE) 2019-01-16 — — EP disclosed
WO-2017153737-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2017-09-14 — — WO disclosed
WO-2017153737-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2017-09-14 — — 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-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA SLC5A2, SLC5A1, SLC2A2 ALDH1A1 1292/4885HIF1A 527/4885KDM4E 3689/4885

“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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