SCHEMBL21998756

SCHEMBL21998756

c1ccc2cc(-c3ccc4c(c3)CCCO4)cc-2cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.51
CTNNB1 P35222 5/20 0.51
WNT3A P56704 5/20 0.51
NOTUM Q6P988 1/20 0.50
RIPK1 Q13546 1/20 0.49
CLK1 P49759 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ERN1 O75460 2/20 0.43
GSK3B P49841 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
KCNH2 Q12809 1/20 0.40
PRKCI P41743 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15749928 0.84 DYRK1A (0.60) DYRK1AERN1GSK3BPTGES2KCNH2
SCHEMBL19724359 0.83 RIPK1 (0.53) DYRK1ACTNNB1WNT3ANOTUMRIPK1
SCHEMBL8185847 0.82 NOTUM (0.47) DYRK1ACTNNB1WNT3ANOTUMRIPK1
SCHEMBL28137011 0.81 KCNH2 (0.52) DYRK1ACTNNB1WNT3ANOTUMRIPK1
SCHEMBL27578676 0.79 ERN1 (0.50) DYRK1ACTNNB1WNT3ANOTUMRIPK1
SCHEMBL19188065 0.79 NOTUM (0.50) DYRK1ACTNNB1WNT3ANOTUMRIPK1
SCHEMBL16574214 0.79 NOTUM (0.50) DYRK1ACTNNB1WNT3ANOTUMRIPK1
Biphenyl SCHEMBL27589817 0.78 CTNNB1 (0.45) DYRK1ACTNNB1WNT3ANOTUMRIPK1
SCHEMBL17610580 0.78 NOTUM (0.49) DYRK1ACTNNB1WNT3ANOTUMRIPK1
SCHEMBL27578678 0.78 CTNNB1 (0.47) DYRK1ACTNNB1WNT3ANOTUMRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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 (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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH DYRK1A 4549/4885CTNNB1 156/4885WNT3A 15/4885

“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.