SCHEMBL18749686

SCHEMBL18749686

CCC(=O)N(C)c1ccccc1COc1cc(C)c(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CD274 Q9NZQ7 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR4 Q5NUL3 6/20 0.38
FFAR1 O14842 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL18515152 0.93 CD274 (0.38) PTGDR2CD274NPSR1MAPTFFAR4
SCHEMBL18749585 0.88 MRGPRX4 (0.45) CD274MAPTRAB9AFFAR4FFAR1
SCHEMBL18749615 0.87 PTGDR2 (0.39) PTGDR2CD274NPSR1MAPTRAB9A
SCHEMBL18749471 0.86 MAPT (0.39) PTGDR2CD274NPSR1MAPTRAB9A
SCHEMBL18514359 0.85 CD274 (0.48) CD274FFAR4FFAR1
SCHEMBL18749468 0.84 MAPT (0.37) PTGDR2CD274NPSR1MAPTRAB9A
SCHEMBL18749427 0.84 SLC22A12 (0.44) NPSR1MAPTRAB9AALDH1A1HSD17B10
SCHEMBL18749459 0.84 PTGDR2 (0.39) PTGDR2CD274NPSR1MAPTRAB9A
SCHEMBL18751145 0.84 MAPT (0.40) PTGDR2CD274NPSR1MAPTRAB9A
SCHEMBL18749465 0.81 MAPT (0.39) NPSR1MAPTRAB9AALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 US disclosed
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 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 (2 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 PTGDR2 4722/4885CD274 2684/4885NPSR1 1960/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 PTGDR2 3545/4885CD274 2976/4885NPSR1 2148/4885

“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.