SCHEMBL18178514

SCHEMBL18178514

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.42
SLC22A12 Q96S37 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 3/20 0.37
ACHE P22303 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
SCHEMBL18178513 0.90 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRG
SCHEMBL18178518 0.90 RXRA (0.42) MRGPRX4FFAR1FFAR4RXRARXRB
SCHEMBL18178515 0.90 MRGPRX4 (0.41) MRGPRX4HPGDL3MBTL1FFAR1FFAR4
SCHEMBL18178511 0.89 MRGPRX4 (0.40) MRGPRX4FFAR1FFAR4RXRARXRB
SCHEMBL18178512 0.89 MRGPRX4 (0.43) MRGPRX4MAPT
SCHEMBL18156351 0.89 MRGPRX4 (0.43) MRGPRX4SLC22A12MAPTRAB9AL3MBTL1
SCHEMBL18178086 0.89 MRGPRX4 (0.43) MRGPRX4SLC22A12NPC1ALDH1A1MAPT
SCHEMBL18178786 0.89 SLC22A12 (0.39) MRGPRX4SLC22A12ALDH1A1HPGDNPSR1
SCHEMBL18178517 0.88 MRGPRX4 (0.40) MRGPRX4HPGDFFAR1FFAR4RXRA
SCHEMBL18178516 0.87 MRGPRX4 (0.39) MRGPRX4HPGDFFAR1FFAR4RXRA

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 167/4885SLC22A12 4500/4885NPC1 1520/4885

“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.