SCHEMBL6338331

SCHEMBL6338331

COc1ccc(-c2coc3c(O)c(OC)c(OC)cc3c2=O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.67
PPARG P37231 1/20 0.67
MAPT P10636 4/20 0.61
RAB9A P51151 3/20 0.61
KDM4E B2RXH2 2/20 0.61
NPC1 O15118 2/20 0.61
POLB P06746 1/20 0.61
HMGB1 P09429 1/20 0.61
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.57
TP53 P04637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC6 Q9UBN7 1/20 0.54
MAPK1 P28482 2/20 0.54
KLK7 P49862 1/20 0.53
ABCB1 P08183 1/20 0.51

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
SCHEMBL11813516 0.91 PTPN1 (0.67) PTPN1PPARGMAPTRAB9AKDM4E
SCHEMBL30842325 0.84 MAPT (0.65) PTPN1PPARGMAPTRAB9AKDM4E
SCHEMBL29503832 0.82 MAPT (0.60) PTPN1PPARGMAPTRAB9AKDM4E
Odoratin SCHEMBL1248967 0.80 PTPN1 (1.00) PTPN1PPARGMAPTRAB9AKDM4E
SCHEMBL6338407 0.80 ALDH1A1 (0.67) PTPN1PPARGMAPTRAB9AKDM4E
SCHEMBL29706518 0.80 ALDH1A1 (0.67) PTPN1PPARGMAPTRAB9AKDM4E
SCHEMBL10563073 0.78 MAPT (0.66) PTPN1PPARGMAPTRAB9AKDM4E
SCHEMBL28442515 0.77 ALDH1A1 (0.68) PTPN1PPARGMAPTRAB9AKDM4E
SCHEMBL29611748 0.77 ALDH1A1 (0.75) PTPN1PPARGMAPTRAB9AKDM4E
SCHEMBL2491956 0.77 MAPT (0.76) PTPN1PPARGMAPTRAB9AKDM4E

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
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 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 (2 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD PTPN1 4075/4885PPARG 1018/4885MAPT 2279/4885
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH PTPN1 2628/4885PPARG 2556/4885MAPT 1612/4885

“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.