SCHEMBL18748902

SCHEMBL18748902

CCc1cccc(NC(=S)OC)c1COc1ccc(C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.45
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 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
SCHEMBL18749030 0.91 MRGPRX4 (0.42) MRGPRX4MAPTALDH1A1HPGDGAA
SCHEMBL18748945 0.90 KDM4E (0.41) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL18514246 0.89 NPC1 (0.41) MRGPRX4MAPTALDH1A1HPGDMEN1
SCHEMBL18748812 0.89 MRGPRX4 (0.49) MRGPRX4MAPTALDH1A1HPGDGAA
SCHEMBL18748975 0.89 MRGPRX4 (0.43) MRGPRX4MAPTALDH1A1HPGDMEN1
SCHEMBL18748875 0.89 MRGPRX4 (0.46) MRGPRX4MAPTALDH1A1HPGDGAA
SCHEMBL18749001 0.88 GAA (0.39) MRGPRX4ALDH1A1GAAMEN1KMT2A
SCHEMBL18748894 0.88 MRGPRX4 (0.45) MRGPRX4MAPTALDH1A1HPGDGAA
SCHEMBL18514575 0.87 KDM4E (0.38) MRGPRX4ALDH1A1HPGDGAAMEN1
SCHEMBL18749048 0.87 GAA (0.41) MRGPRX4MAPTALDH1A1HPGDGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 US disclosed
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 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 (2 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 MRGPRX4 959/4885MAPT 3329/4885ALDH1A1 1238/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885MAPT 2998/4885ALDH1A1 1416/4885

“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.