SCHEMBL3236136

SCHEMBL3236136

CC(c1ccccc1Cl)(c1ccccc1Cl)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACP3 P15309 2/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 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
SCHEMBL3884603 0.78 PGK1 (0.42) ACP3ALDH1A1PTPN1TSHRPGK1
SCHEMBL779166 0.76 PTPN1 (0.41) KCNN4ALDH1A1NPC1RAB9APTPN1
SCHEMBL3234321 0.73 FDPS (0.40) KCNN4SMN1; SMN2ACP3ALDH1A1HTR2A
SCHEMBL18242369 0.72 KCNN4 (0.45) KCNN4SMN1; SMN2ALDH1A1NPC1GLA
SCHEMBL4298643 0.72 KCNN4 (0.45) KCNN4ALDH1A1HTR2AHTR2CADRA1A
SCHEMBL30530487 0.72 KCNN4 (0.45) KCNN4ALDH1A1HTR2AHTR2CADRA1A
SCHEMBL8895713 0.72 KCNN4 (0.45) KCNN4ALDH1A1HTR2AHTR2CADRA1A
SCHEMBL8167395 0.71 CES2 (0.41) KCNN4ALDH1A1NPC1GLARAB9A
SCHEMBL7571745 0.71 KCNN4 (0.48) KCNN4SMN1; SMN2ALDH1A1GLARAB9A
SCHEMBL78489 0.71 TSHR (0.50) KCNN4SMN1; SMN2ALDH1A1NPC1GLA

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-20140073608-A1 Butyrylcholinesterase Inhibitors MGP BIOTECHNOLOGIES, LLC (US) 2014-03-13 US disclosed
US-20100069337-A1 BUTYRYLCHOLINESTERASE INHIBITORS JAL THERAPEUTICS, LLC 2010-03-18 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-20140073608-A1 Butyrylcholinesterase Inhibitors BCHE, ACHE, PSEN1 KCNN4 3310/4885SMN1; SMN2 178/4885ACP3 261/4885
US-20100069337-A1 BUTYRYLCHOLINESTERASE INHIBITORS BCHE, ACHE, PSEN1 KCNN4 3310/4885SMN1; SMN2 178/4885ACP3 261/4885

“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.