SCHEMBL18178730

SCHEMBL18178730

CCOc1cccc(OC(=O)CC)c1COc1cc(C)c(C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.38
ACHE P22303 1/20 0.38
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
RORC P51449 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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
SCHEMBL18178692 0.94 MRGPRX4 (0.39) MRGPRX4ACHERAB9AMAPTRORC
SCHEMBL18182040 0.92 MRGPRX4 (0.39) MRGPRX4ACHERAB9AMAPTRORC
SCHEMBL18178559 0.91 ALDH1A1 (0.40) MRGPRX4ACHERAB9AMAPTRORC
SCHEMBL18178719 0.90 KMT2A (0.41) MRGPRX4ACHERAB9ANPC1SMN1; SMN2
SCHEMBL18178732 0.90 SLC22A12 (0.41) MRGPRX4ACHERAB9AMAPTATM
SCHEMBL18178361 0.89 RORC (0.41) MRGPRX4RAB9AMAPTRORCATM
SCHEMBL18178761 0.89 MAPT (0.41) MRGPRX4ACHERAB9AMAPTL3MBTL1
SCHEMBL18178721 0.88 MRGPRX4 (0.40) MRGPRX4ACHENPC1KDM4EALDH1A1
SCHEMBL18183052 0.87 MRGPRX4 (0.42) MRGPRX4RAB9AMAPTRORCL3MBTL1
SCHEMBL18530986 0.87 MAPT (0.38) MRGPRX4ACHERAB9AMAPTNPC1

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 167/4885ACHE 460/4885RAB9A 1136/4885

“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.