SCHEMBL18178086

SCHEMBL18178086

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.43
S1PR1 P21453 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 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
SCHEMBL18178089 0.90 MRGPRX4 (0.43) MRGPRX4S1PR1
SCHEMBL18178091 0.89 MRGPRX4 (0.42) MRGPRX4S1PR1FFAR1FFAR4RXRA
SCHEMBL18178161 0.89 MRGPRX4 (0.47) MRGPRX4S1PR1
SCHEMBL18178083 0.89 MRGPRX4 (0.42) MRGPRX4S1PR1HPGDMAPTRAB9A
SCHEMBL18178092 0.89 MRGPRX4 (0.42) MRGPRX4S1PR1HPGDALDH1A1RXRA
SCHEMBL18178120 0.89 MRGPRX4 (0.42) MRGPRX4S1PR1HPGDL3MBTL1FFAR1
SCHEMBL18178514 0.89 MRGPRX4 (0.42) MRGPRX4SLC22A12HPGDMAPTRAB9A
SCHEMBL18178411 0.89 MRGPRX4 (0.40) MRGPRX4SLC22A12HPGDMAPTRAB9A
SCHEMBL18182925 0.88 MRGPRX4 (0.46) MRGPRX4S1PR1SLC22A12MAPTRAB9A
SCHEMBL18178084 0.88 MRGPRX4 (0.41) MRGPRX4S1PR1HPGDFFAR1FFAR4

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 167/4885S1PR1 2632/4885SLC22A12 4500/4885

“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.