SCHEMBL18748840

SCHEMBL18748840

CCc1cc(C)c(C)cc1OCc1ccccc1NC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL18514808 0.94 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18514816 0.91 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18748940 0.90 MAPT (0.45) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18749019 0.88 HPGD (0.38) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18748809 0.87 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18749244 0.87 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL18748856 0.86 HDAC8 (0.43) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18748942 0.86 SLC22A12 (0.41) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL18748850 0.86 RAB9A (0.42) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL18749100 0.86 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPTHTT

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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105416-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 KMT2A 705/4885MEN1 1194/4885ALDH1A1 1238/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 KMT2A 1447/4885MEN1 2823/4885ALDH1A1 1416/4885

“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.