SCHEMBL22337072

SCHEMBL22337072

Brc1ccc(OCCCC2CCCCCCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.60
NFE2L2 Q16236 1/20 0.58
HPGD P15428 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
PTGES O14684 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
LTA4H P09960 2/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL21609720 1.00 HRH3 (0.60) HRH3NFE2L2HPGDL3MBTL1ATM
SCHEMBL23163613 0.91 NFE2L2 (0.70) HRH3NFE2L2HPGDL3MBTL1ATM
SCHEMBL30674634 0.83 HRH3 (0.60) HRH3NFE2L2HPGDPTGESLTA4H
SCHEMBL30674523 0.83 HRH3 (0.60) HRH3NFE2L2HPGDPTGESKDM4E
SCHEMBL27981217 0.83 HRH3 (0.60) HRH3NFE2L2HPGDPTGESLTA4H
SCHEMBL30674533 0.83 HRH3 (0.60) HRH3NFE2L2HPGDPTGESKDM4E
SCHEMBL22260017 0.83 NFE2L2 (0.84) HRH3NFE2L2HPGDPTGESTDP1
SCHEMBL30674529 0.83 HRH3 (0.64) HRH3NFE2L2HPGDPTGES
SCHEMBL5207816 0.82 HRH3 (0.59) HRH3NFE2L2HPGDPTGESSMN1; SMN2
SCHEMBL9346158 0.82 KDM4E (0.47) HRH3L3MBTL1ATMTDP1KDM4E

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 HRH3 625/4885NFE2L2 401/4885HPGD 3091/4885

“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.