SCHEMBL18182016

SCHEMBL18182016

CCC(=O)Oc1cccc(Br)c1COc1cc(F)c(CC)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.37
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
DHODH Q02127 3/20 0.35
MAPT P10636 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL18156240 0.91 MRGPRX4 (0.40) MRGPRX4ALDH1A1POLBRAB9ADHODH
SCHEMBL18182445 0.91 MRGPRX4 (0.37) MRGPRX4MAPK14ALDH1A1POLBDHODH
SCHEMBL18156441 0.90 ACLY (0.34) MRGPRX4MAPK14ALDH1A1MAPTPTGER1
SCHEMBL18182044 0.90 ACLY (0.34) MRGPRX4MAPK14ALDH1A1MAPTPTGER1
SCHEMBL18182020 0.90 ALDH1A1 (0.41) MRGPRX4ALDH1A1POLBRAB9ADHODH
SCHEMBL18182595 0.90 MRGPRX4 (0.39) MRGPRX4ALDH1A1RAB9AMAPTPTGER1
SCHEMBL18181979 0.90 ACLY (0.34) MRGPRX4MAPK14ALDH1A1RAB9AMAPT
SCHEMBL18183048 0.90 MRGPRX4 (0.41) MRGPRX4ALDH1A1POLBRAB9ADHODH
SCHEMBL18178556 0.89 MAPT (0.36) MRGPRX4MAPK14ALDH1A1MAPTPTGER1
SCHEMBL18182000 0.88 MAPK14 (0.38) MRGPRX4MAPK14ALDH1A1POLBRAB9A

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 167/4885MAPK14 2775/4885ALDH1A1 3176/4885

“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.