SCHEMBL22337207

SCHEMBL22337207

CN(CCCC1CCCCCCCC1)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
CYP1A2 P05177 1/20 0.39
KDM1A O60341 1/20 0.39
BCHE P06276 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
INSR P06213 1/20 0.34
MEN1 O00255 1/20 0.34
ACHE P22303 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYBB P04839 1/20 0.34
NOX4 Q9NPH5 1/20 0.34

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
SCHEMBL21609721 1.00 SIGMAR1 (0.45) SIGMAR1CYP1A2KDM1ABCHEHDAC3
SCHEMBL21267711 0.77 SIGMAR1 (0.47) SIGMAR1CYP1A2BCHECHRM1HTR2A
SCHEMBL29293075 0.76 CHRM1 (0.45) SIGMAR1KMT2AMEN1CHRM1HTR2A
SCHEMBL11209572 0.73 BCHE (0.46) SIGMAR1BCHEACHE
SCHEMBL17195664 0.72 MAPT (0.56) CYP1A2HDAC3HDAC1HDAC2NPC1
SCHEMBL26800298 0.72 MEN1 (0.46) KDM1AKMT2ANPC1RAB9AMEN1
SCHEMBL7724186 0.71 SIGMAR1 (0.40) SIGMAR1BCHEKMT2AACHE
SCHEMBL28725607 0.71 SIGMAR1 (0.43) SIGMAR1CYP1A2BCHEKMT2ANPC1
SCHEMBL23699996 0.71 LSS (0.39) KDM1AKMT2AMEN1
SCHEMBL16358422 0.71 MAPT (0.50) CYP1A2HDAC3HDAC1HDAC2

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 SIGMAR1 630/4885CYP1A2 1399/4885KDM1A 3637/4885

“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.