SCHEMBL22337071

SCHEMBL22337071

Brc1ccc(CCC2CCCCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
TAAR1 Q96RJ0 3/20 0.43
HTR2A P28223 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DAO P14920 1/20 0.41
CEL P19835 2/20 0.40
MEN1 O00255 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
SCHEMBL13464692 1.00 HDAC3 (0.44) HDAC3HDAC1HDAC2TAAR1HTR2A
SCHEMBL17070215 1.00 HDAC3 (0.44) HDAC3HDAC1HDAC2TAAR1HTR2A
SCHEMBL11560195 0.90 TAAR1 (0.48) TAAR1HTR2A
SCHEMBL31327373 0.82 TAAR1 (0.42) HDAC3HDAC1HDAC2TAAR1HTR2A
SCHEMBL8857684 0.82 MAOB (0.46) TAAR1HTR2AKMT2AMEN1
SCHEMBL8857692 0.82 MAOB (0.46) TAAR1HTR2AKMT2AMEN1
SCHEMBL9183884 0.82 TAAR1 (0.42) TAAR1HTR2A
SCHEMBL23506821 0.81 TAAR1 (0.41) HDAC3HDAC1HDAC2TAAR1HTR2A
SCHEMBL20015576 0.81 HRH3 (0.44) TAAR1HTR2A
SCHEMBL10479962 0.81 MAOB (0.45) TAAR1HTR2AKMT2AMEN1

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-11795315-B2 Group 5 metal complexes for producing amine-functionalized polyolefins THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-10-24 US disclosed
US-20200255457-A1 PROCESS FOR THE REMOVAL AND RETURN OF A CATALYST TO A LIQUID PHASE MEDIUM PHOSPHONICS LTD (GB) 2020-08-13 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-20200255457-A1 PROCESS FOR THE REMOVAL AND RETURN OF A CATALYST TO A LIQUID PHASE MEDIUM MSR1, NOC2L, GFRA2 HDAC3 3490/4885HDAC1 3465/4885HDAC2 2712/4885

“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.