SCHEMBL18748865

SCHEMBL18748865

COC(=O)Nc1ccccc1COc1cc(C)c(C)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CD274 Q9NZQ7 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HPGD P15428 1/20 0.39
PDCD1 Q15116 1/20 0.39

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
SCHEMBL18514928 0.92 FFAR4 (0.40) FFAR4ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL18748940 0.88 MAPT (0.45) FFAR4ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL18748827 0.88 NPC1 (0.52) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL18749280 0.86 LMNA (0.47) FFAR4THRATHRBALDH1A1MAPT
SCHEMBL18748840 0.86 KMT2A (0.42) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL18748866 0.86 LMNA (0.38) FFAR4ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL18748856 0.85 HDAC8 (0.43) FFAR4ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL18748939 0.85 LMNA (0.38) FFAR4THRATHRBALDH1A1MAPT
SCHEMBL18748850 0.85 RAB9A (0.42) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL18748831 0.85 SLC22A12 (0.41) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2

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 FFAR4 4194/4885THRA 2028/4885THRB 2690/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 FFAR4 4026/4885THRA 1072/4885THRB 1493/4885

“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.