SCHEMBL18178900

SCHEMBL18178900

CC(=S)Oc1cccc(C)c1COc1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
L3MBTL1 Q9Y468 5/20 0.40
SLC22A12 Q96S37 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HSP90AA1 P07900 1/20 0.38
UBE2N P61088 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 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
SCHEMBL18178891 0.88 MRGPRX4 (0.43) MRGPRX4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL18178893 0.88 MRGPRX4 (0.43) MRGPRX4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL18178901 0.88 MRGPRX4 (0.43) MRGPRX4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL18178889 0.88 MRGPRX4 (0.43) MRGPRX4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL18178897 0.88 MRGPRX4 (0.43) MRGPRX4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL18178896 0.87 MRGPRX4 (0.43) MRGPRX4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL18178895 0.87 MRGPRX4 (0.45) MRGPRX4L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL18178917 0.87 MRGPRX4 (0.44) MRGPRX4L3MBTL1SLC22A12SMN1; SMN2NPC1
SCHEMBL18178816 0.87 MRGPRX4 (0.44) MRGPRX4L3MBTL1SLC22A12SMN1; SMN2NPC1
SCHEMBL18178875 0.86 MRGPRX4 (0.52) MRGPRX4L3MBTL1SLC22A12SMN1; SMN2NPC1

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 MRGPRX4 167/4885L3MBTL1 401/4885SLC22A12 4500/4885

“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.