SCHEMBL18178484

SCHEMBL18178484

CCOc1cccc(OC(=O)CC)c1COc1ccc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.48
L3MBTL1 Q9Y468 5/20 0.41
ALDH1A1 P00352 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
FFAR4 Q5NUL3 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.39
FFAR1 O14842 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL18178473 0.90 MRGPRX4 (0.50) MRGPRX4L3MBTL1ALDH1A1FFAR4RAB9A
SCHEMBL18178071 0.89 MRGPRX4 (0.47) MRGPRX4L3MBTL1ALDH1A1TAS1R3TAS1R1
SCHEMBL18178497 0.89 MAPT (0.40) MRGPRX4L3MBTL1ALDH1A1FFAR4RAB9A
SCHEMBL18178878 0.89 MRGPRX4 (0.49) MRGPRX4L3MBTL1ALDH1A1TAS1R3TAS1R1
SCHEMBL18178446 0.88 MRGPRX4 (0.50) MRGPRX4L3MBTL1RAB9AMAPTFFAR1
SCHEMBL18178471 0.88 MAPT (0.53) L3MBTL1ALDH1A1RAB9ANPC1MAPT
SCHEMBL18178457 0.88 RAB9A (0.53) MRGPRX4L3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL18182424 0.88 FFAR4 (0.43) MRGPRX4TAS1R3TAS1R1FFAR4FFAR1
SCHEMBL18178478 0.88 MRGPRX4 (0.48) MRGPRX4L3MBTL1ALDH1A1FFAR4RAB9A
SCHEMBL18178761 0.88 MAPT (0.41) MRGPRX4L3MBTL1ALDH1A1TAS1R3TAS1R1

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 401/4885ALDH1A1 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.