SCHEMBL18182011

SCHEMBL18182011

CCOc1cccc(OC(=O)CC)c1COc1ccc(CC)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MRGPRX4 Q96LA9 6/20 0.41
RORC P51449 1/20 0.41
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.39
CD274 Q9NZQ7 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL18182036 0.91 MRGPRX4 (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL18182836 0.91 NPC1 (0.43) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL18156202 0.90 RORC (0.45) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL18181996 0.90 MRGPRX4 (0.44) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL18156409 0.89 SLC22A12 (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL18156180 0.88 ALOX15 (0.41) RAB9ANPC1LMNAMAPTMRGPRX4
SCHEMBL18182811 0.88 NPC1 (0.41) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL18156407 0.88 NPC1 (0.41) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL18156234 0.88 DHODH (0.42) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL18178457 0.87 RAB9A (0.53) SMN1; SMN2RAB9ANPC1LMNAMAPT

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 SMN1; SMN2 4166/4885RAB9A 1136/4885NPC1 1520/4885

“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.