SCHEMBL21784055

SCHEMBL21784055

COc1c2c(c3c(c1C(C)=O)OC(C)(C)C=C3)OC(C)(C)C=C2

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
PTGES O14684 2/20 0.50
ALOX5 P09917 2/20 0.50
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA2 P00918 1/20 0.48
HIF1A Q16665 8/20 0.43
KDM4E B2RXH2 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSP90AA1 P07900 2/20 0.43

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
SCHEMBL30525081 1.00 ALDH1A1 (0.58) ALDH1A1PTGESALOX5CA12CA1
SCHEMBL30485071 0.92 ALDH1A1 (0.56) ALDH1A1PTGESALOX5CA12CA1
SCHEMBL30555025 0.90 ALDH1A1 (0.53) ALDH1A1PTGESALOX5CA12CA1
SCHEMBL31376243 0.81 HSP90AA1 (0.51) ALDH1A1CA12CA1CA7CA9
SCHEMBL21784054 0.77 PTGES (0.49) ALDH1A1PTGESALOX5CA12CA1
Mallotochromene SCHEMBL30616016 0.74 KDM4E (0.59) ALDH1A1PTGESALOX5HIF1AKDM4E
SCHEMBL21765950 0.74 HIF1A (0.67) HIF1AHSP90AA1
SCHEMBL29379773 0.72 ALDH1A1 (0.50) ALDH1A1PTGESALOX5CA12CA1
SCHEMBL16244979 0.71 HSP90AA1 (0.50) PTGESALOX5HIF1AHSP90AA1
SCHEMBL30040796 0.71 HSP90AA1 (0.50) PTGESALOX5HIF1AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3847163-B1 BIOACTIVE COMPOUND HARDIE HEALTH LTD (NZ) 2023-07-19 EP disclosed
US-20210332023-A1 BIOACTIVE COMPOUND HARDIE HEALTH LIMITED (NZ) 2021-10-28 US disclosed
WO-2020044245-A1 BIOACTIVE COMPOUND HARDIE HEALTH LIMITED (NZ) 2020-03-05 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-20210332023-A1 BIOACTIVE COMPOUND MLX, MELK, BMX ALDH1A1 2370/4885PTGES 351/4885ALOX5 14/4885

“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.