SCHEMBL21836364

SCHEMBL21836364

COc1ccc2c(CC(NC(C)c3ccccc3)C(C)(C)C)coc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSMB5 P28074 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL21836362 1.00 PIN1 (0.44) PIN1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL21836375 0.78 TDP1 (0.48) ALDH1A1MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL21836374 0.78 TDP1 (0.48) ALDH1A1MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL21836409 0.77 PSMB5 (0.48) ALDH1A1MEN1KMT2AHPGDPSMB5
SCHEMBL21836406 0.77 PSMB5 (0.48) ALDH1A1MEN1KMT2AHPGDPSMB5
SCHEMBL21836437 0.74 MAPT (0.46) PIN1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL21836439 0.74 MAPT (0.46) PIN1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL5208631 0.70 MAPT (0.50) PIN1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL5205684 0.69 PIN1 (0.57) PIN1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL21807608 0.69 MAPT (0.45) PIN1ALDH1A1MAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377450-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2021-04-22 US disclosed
US-10865211-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200095258-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-03-26 US 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 (4 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-11377450-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF PIN1 113/4885ALDH1A1 2352/4885MAPT 4614/4885
US-10865211-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF PIN1 113/4885ALDH1A1 2352/4885MAPT 4614/4885
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF PIN1 113/4885ALDH1A1 2352/4885MAPT 4614/4885
US-20200095258-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF PIN1 113/4885ALDH1A1 2352/4885MAPT 4614/4885

“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.