SCHEMBL22337074

SCHEMBL22337074

Brc1ccc(SCCC2CCCCCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
NFE2L2 Q16236 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
CRBN Q96SW2 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSP90AA1 P07900 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAOA P21397 1/20 0.37
CTSK P43235 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL21609724 1.00 HDAC3 (0.41) HDAC3HDAC1HDAC2NFE2L2RAB9A
SCHEMBL22336947 0.88 RAB9A (0.38) HDAC3HDAC1HDAC2RAB9ANPC1
SCHEMBL21609723 0.88 RAB9A (0.38) HDAC3HDAC1HDAC2RAB9ANPC1
SCHEMBL21609715 0.82 HPGD (0.52) NFE2L2RAB9ANPC1KMT2ACRBN
SCHEMBL21609714 0.82 HPGD (0.52) NFE2L2RAB9ANPC1KMT2ACRBN
SCHEMBL22337189 0.80 MAOA (0.43) KMT2ACRBNMAPTTDP1SMN1; SMN2
SCHEMBL21609713 0.80 MAOA (0.43) KMT2ACRBNMAPTTDP1SMN1; SMN2
SCHEMBL3290861 0.78 NFE2L2 (0.37) NFE2L2RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL6478831 0.77 KMT2A (0.48) RAB9ANPC1KMT2AHPGDALDH1A1
SCHEMBL22558220 0.76 ALDH1A1 (0.44) HDAC3HDAC1HDAC2RAB9ANPC1

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-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.