SCHEMBL24722261

SCHEMBL24722261

CC(C)(C)C#Cc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
APP P05067 4/20 0.36
HAO1 Q9UJM8 1/20 0.36
PTGES2 Q9H7Z7 5/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
DRD5 P21918 1/20 0.31
P2RY6 Q15077 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31

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
SCHEMBL4954449 0.87 HRH3 (0.47) HRH3APPHAO1PTGES2PTGES
SCHEMBL31257842 0.82 APP (0.34) APPMAPTKMT2AATM
SCHEMBL1571249 0.82 ASIC3 (0.44) APPHAO1PTGES2MAPTKMT2A
SCHEMBL9694697 0.78 GRM5 (0.45) HRH3HAO1PTGES2MAPTKMT2A
SCHEMBL13597759 0.76 HRH3 (0.41) HRH3APPHAO1PTGES2DRD5
SCHEMBL20717544 0.76 APP (0.59) HRH3APPHAO1PTGES2MAPT
SCHEMBL507497 0.76 KIF11 (0.48) HRH3
SCHEMBL22881118 0.76 HRH3 (0.41) HRH3HAO1PTGES2PTGESALOX5
SCHEMBL23135750 0.76 PTPN11 (0.32) HRH3CYP2D6HRH4
SCHEMBL4379793 0.76 APP (0.48) HRH3APPHAO1MAPTKMT2A

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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto UNIV EMORY (US) 2022-09-22 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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto PNPO, GSTO1, CYP2C18 HRH3 3382/4885APP 1690/4885HAO1 10/4885

“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.