SCHEMBL18178459

SCHEMBL18178459

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.47
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CD274 Q9NZQ7 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL18178460 0.92 MRGPRX4 (0.50) MRGPRX4L3MBTL1MAPTRAB9AATM
SCHEMBL18178454 0.90 MRGPRX4 (0.48) MRGPRX4L3MBTL1MAPTRAB9AATM
SCHEMBL18178055 0.89 MRGPRX4 (0.47) MRGPRX4L3MBTL1MAPTRAB9AATM
SCHEMBL18178498 0.89 L3MBTL1 (0.40) MRGPRX4L3MBTL1MAPTRAB9APTGER1
SCHEMBL18178486 0.89 MRGPRX4 (0.46) MRGPRX4L3MBTL1MAPTRAB9AKDM4E
SCHEMBL18178724 0.88 MRGPRX4 (0.38) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL18178453 0.88 MRGPRX4 (0.52) MRGPRX4L3MBTL1MAPTRAB9AATM
SCHEMBL18178688 0.87 MRGPRX4 (0.39) MRGPRX4L3MBTL1MAPTPTGER1PTGER4
SCHEMBL18178467 0.87 MAPT (0.42) L3MBTL1MAPTRAB9AKDM4ENPC1
SCHEMBL18178450 0.87 MRGPRX4 (0.47) MRGPRX4L3MBTL1MAPTPTGER1PTGER4

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 401/4885MAPT 4572/4885

“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.