SCHEMBL18156409

SCHEMBL18156409

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.44
MRGPRX4 Q96LA9 8/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 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
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.39
CD274 Q9NZQ7 5/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
FFAR1 O14842 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
SCHEMBL18182836 0.91 NPC1 (0.43) MRGPRX4RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18156097 0.90 RAB9A (0.43) SLC22A12MRGPRX4RAB9ANPC1SMN1; SMN2
SCHEMBL18181996 0.90 MRGPRX4 (0.44) MRGPRX4RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18182540 0.90 SLC22A12 (0.46) SLC22A12MRGPRX4RAB9AMAPTALOX15
SCHEMBL18182036 0.89 MRGPRX4 (0.44) MRGPRX4RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18182011 0.89 SMN1; SMN2 (0.41) MRGPRX4RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18182429 0.88 SLC22A12 (0.45) SLC22A12MRGPRX4RAB9AMAPTHSD17B10
SCHEMBL18178458 0.88 MRGPRX4 (0.51) SLC22A12MRGPRX4RAB9ANPC1SMN1; SMN2
SCHEMBL18182811 0.88 NPC1 (0.41) MRGPRX4RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18156407 0.88 NPC1 (0.41) MRGPRX4RAB9ANPC1SMN1; SMN2MAPT

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 3 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
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP 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 SLC22A12 4500/4885MRGPRX4 167/4885RAB9A 1136/4885

“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.