SCHEMBL18178481

SCHEMBL18178481

CCC(=O)Oc1cccc(F)c1COc1ccc(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.40
PPARD Q03181 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
GUCY1B2 O75343 3/20 0.38
GUCY1A2 P33402 3/20 0.38
GUCY1A1 Q02108 3/20 0.38
GUCY1B1 Q02153 3/20 0.38
ACHE P22303 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
SCHEMBL18178443 0.92 MRGPRX4 (0.52) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178494 0.89 MRGPRX4 (0.42) MRGPRX4L3MBTL1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL18178473 0.89 MRGPRX4 (0.50) MRGPRX4L3MBTL1FFAR4NPC1RAB9A
SCHEMBL18178463 0.88 HPGD (0.43) MRGPRX4L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL18156398 0.88 MRGPRX4 (0.44) MRGPRX4PPARDFFAR4GUCY1B2GUCY1A2
SCHEMBL18178451 0.88 MRGPRX4 (0.49) MRGPRX4L3MBTL1RAB9AALDH1A1MAPT
SCHEMBL18178069 0.88 MRGPRX4 (0.47) MRGPRX4L3MBTL1PPARDFFAR4NPC1
SCHEMBL18178745 0.88 MRGPRX4 (0.43) MRGPRX4PPARDRAB9AALDH1A1MAPT
SCHEMBL18178865 0.88 MRGPRX4 (0.49) MRGPRX4PPARDFFAR4NPC1RAB9A
SCHEMBL18178503 0.87 MRGPRX4 (0.41) MRGPRX4MAPTGUCY1B2GUCY1A2GUCY1A1

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 401/4885PPARD 2871/4885

“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.