SCHEMBL23701473

SCHEMBL23701473

O=C(O)N1CCc2ccc(OCc3ccc(OCF)cn3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
F10 P00742 7/20 0.40
PLG P00747 1/20 0.39
PORCN Q9H237 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL23701236 0.92 HRH3 (0.45) HRH3CYP4F2CYP4A11FFAR4F10
SCHEMBL23537968 0.88 ESR1 (0.46) HRH3CYP4F2CYP4A11F10PLG
SCHEMBL23701302 0.87 ADRA2A (0.42) HRH3CYP4F2CYP4A11FFAR4F10
SCHEMBL30951856 0.86 NR1H2 (0.53) HRH3CYP4F2CYP4A11PORCNESR2
SCHEMBL23561871 0.86 NR1H2 (0.53) HRH3CYP4F2CYP4A11PORCNESR2
SCHEMBL29097949 0.86 HRH3 (0.43) HRH3CYP4F2CYP4A11F10PLG
SCHEMBL23561872 0.82 STS (0.42) HRH3ESR1MEN1MAPTKMT2A
SCHEMBL29098045 0.81 F10 (0.52) HRH3F10PLGESR1
SCHEMBL23561725 0.80 HRH3 (0.55) HRH3F10PORCNESR1ESR2
SCHEMBL23561999 0.79 ESR2 (0.45) HRH3F10ESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992535-B2 Compounds and probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-05-28 US disclosed
US-20210236663-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-08-05 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 (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-20210236663-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 HRH3 3299/4885CYP4F2 4719/4885CYP4A11 4880/4885
US-11992535-B2 Compounds and probes for imaging huntingtin protein HTT, HYPK, HSPBP1 HRH3 3299/4885CYP4F2 4719/4885CYP4A11 4880/4885

“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.