SCHEMBL18178895

SCHEMBL18178895

CCc1cccc(OC(C)=S)c1COc1ccc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.45
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 1/20 0.40
FFAR4 Q5NUL3 4/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 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
MEN1 O00255 2/20 0.38
KMT2A Q03164 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
SCHEMBL18178896 0.90 MRGPRX4 (0.43) MRGPRX4L3MBTL1FFAR4HPGDNPC1
SCHEMBL18178903 0.89 MRGPRX4 (0.42) MRGPRX4L3MBTL1FFAR4HPGDNPC1
SCHEMBL18178921 0.89 MRGPRX4 (0.44) MRGPRX4L3MBTL1KDM4EFFAR4HPGD
SCHEMBL18182498 0.89 FFAR4 (0.41) MRGPRX4FFAR4FFAR1
SCHEMBL18178872 0.89 MRGPRX4 (0.49) MRGPRX4L3MBTL1KDM4EFFAR4HPGD
SCHEMBL18178826 0.88 MRGPRX4 (0.44) MRGPRX4L3MBTL1KDM4EFFAR4HPGD
SCHEMBL18179017 0.88 MAPT (0.38) MRGPRX4FFAR4RAB9AMAPT
SCHEMBL18178900 0.87 MRGPRX4 (0.46) MRGPRX4L3MBTL1FFAR4HPGDNPC1
SCHEMBL18178856 0.87 MRGPRX4 (0.43) MRGPRX4L3MBTL1KDM4EFFAR4HPGD
SCHEMBL18182903 0.86 SLC22A12 (0.36) MRGPRX4FFAR4RAB9AMAPT

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 401/4885KDM4E 2107/4885

“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.