SCHEMBL18178918

SCHEMBL18178918

CCC(=S)Oc1cccc(I)c1COc1ccc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
L3MBTL1 Q9Y468 5/20 0.39
HSP90AA1 P07900 1/20 0.37
UBE2N P61088 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL18178917 0.89 MRGPRX4 (0.44) MRGPRX4L3MBTL1HSP90AA1UBE2NSMN1; SMN2
SCHEMBL18156176 0.88 FFAR4 (0.36) MRGPRX4FFAR4
SCHEMBL18178893 0.88 MRGPRX4 (0.43) MRGPRX4L3MBTL1HSP90AA1UBE2NSMN1; SMN2
SCHEMBL18179036 0.88 MAPT (0.35) MRGPRX4RAB9AMAPT
SCHEMBL18178919 0.87 MRGPRX4 (0.43) MRGPRX4L3MBTL1HSP90AA1UBE2NSMN1; SMN2
SCHEMBL18178921 0.86 MRGPRX4 (0.44) MRGPRX4L3MBTL1HSP90AA1UBE2NSMN1; SMN2
SCHEMBL18178915 0.86 MRGPRX4 (0.42) MRGPRX4L3MBTL1HSP90AA1UBE2NSMN1; SMN2
SCHEMBL18178914 0.86 MRGPRX4 (0.42) MRGPRX4L3MBTL1HSP90AA1UBE2NSMN1; SMN2
SCHEMBL18178476 0.86 MRGPRX4 (0.47) MRGPRX4L3MBTL1HSP90AA1UBE2NSMN1; SMN2
SCHEMBL18178815 0.86 MRGPRX4 (0.42) MRGPRX4L3MBTL1HSP90AA1UBE2NSMN1; SMN2

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 401/4885HSP90AA1 2605/4885

“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.