SCHEMBL21601619

SCHEMBL21601619

CCOC(=O)CCOc1cc(OC)ccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HDAC8 Q9BY41 3/20 0.46
PTPN1 P18031 2/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 3/20 0.46
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NTSR1 P30989 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 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
SCHEMBL21601607 0.94 PTPN1 (0.53) ALDH1A1HDAC8PTPN1HPGDRAB9A
SCHEMBL177349 0.87 ALDH1A1 (0.58) ALDH1A1PTPN1HPGDRAB9AGAA
SCHEMBL5545270 0.85 KDM4E (0.54) ALDH1A1PTPN1RAB9AKDM4ECYP1A2
SCHEMBL8154071 0.84 ALDH1A1 (0.59) ALDH1A1HDAC8HPGDRAB9AKDM4E
SCHEMBL5550259 0.84 KDM4E (0.53) ALDH1A1PTPN1RAB9AKDM4ECYP1A2
SCHEMBL2654870 0.84 PTPN1 (0.55) ALDH1A1PTPN1HPGDCYP1A2CYP2C19
SCHEMBL14402249 0.84 BRD4 (0.51) ALDH1A1PTPN1HPGDCYP1A2CYP2C19
SCHEMBL28009091 0.83 ALDH1A1 (0.55) ALDH1A1HDAC8HPGDRAB9AKDM4E
SCHEMBL2556331 0.83 ALDH1A1 (0.58) ALDH1A1HDAC8HPGDRAB9AKDM4E
SCHEMBL29955065 0.81 ALDH1A1 (0.52) ALDH1A1HDAC8HPGDRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277051-A1 COMPOUND OR SALT THEREOF AND PREPARATION METHOD AND APPLICATION OF SAME ZHEJIANG PEPTITES BIOTECH CO., LTD (CN) 2021-09-09 US disclosed
WO-2019242010-A1 COMPOUND OR SALT THEREOF AND PREPARATION METHOD AND APPLICATION OF SAME 浙江湃肽生物有限公司 2019-12-26 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-20210277051-A1 COMPOUND OR SALT THEREOF AND PREPARATION METHOD AND APPLICATION OF SAME SEM1, REN, SETDB1 ALDH1A1 355/4885HDAC8 665/4885PTPN1 2024/4885

“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.