SCHEMBL18182811

SCHEMBL18182811

CCC(=O)Oc1cccc(Br)c1COc1ccc(CC)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MRGPRX4 Q96LA9 10/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CD274 Q9NZQ7 2/20 0.37

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
SCHEMBL18181950 0.90 MRGPRX4 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18182836 0.90 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18182999 0.90 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18156244 0.89 ALOX15 (0.40) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18181996 0.89 MRGPRX4 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18182011 0.88 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18156409 0.88 SLC22A12 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18182036 0.88 MRGPRX4 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18178456 0.88 MRGPRX4 (0.49) NPC1RAB9ASMN1; SMN2MAPTMRGPRX4
SCHEMBL18156399 0.88 FFAR4 (0.47) MAPTMRGPRX4ALOX15CD274

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-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 NPC1 1520/4885RAB9A 1136/4885SMN1; SMN2 4166/4885

“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.