SCHEMBL18178115

SCHEMBL18178115

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
MRGPRX4 Q96LA9 4/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
PTPN1 P18031 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
LPAR1 Q92633 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL18178082 0.90 KCNMA1 (0.38) MRGPRX4MAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL18178174 0.90 MRGPRX4 (0.41) MRGPRX4MAPTLMNA
SCHEMBL18178154 0.89 MRGPRX4 (0.35) MRGPRX4MAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL18178081 0.89 KDM4E (0.39) MRGPRX4MAPTL3MBTL1SMN1; SMN2HPGD
SCHEMBL18178130 0.89 MAPT (0.36) MRGPRX4MAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL18178112 0.89 MRGPRX4 (0.40) MRGPRX4MAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL18178500 0.89 SLC22A12 (0.39) SLC22A12MRGPRX4MAPTRAB9AL3MBTL1
SCHEMBL18178397 0.88 SLC22A12 (0.40) SLC22A12MRGPRX4MAPTRAB9AL3MBTL1
SCHEMBL18178088 0.88 PTGER1 (0.35) MRGPRX4MAPTRAB9AL3MBTL1HPGD
SCHEMBL18182470 0.88 LMNA (0.41) SLC22A12MRGPRX4MAPTRAB9AL3MBTL1

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 SLC22A12 4500/4885MRGPRX4 167/4885MAPT 4572/4885

“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.