SCHEMBL18514940

SCHEMBL18514940

CCc1ccc(OCc2ccccc2NC(=O)OC)c(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
PTGER1 P34995 1/20 0.39
BRD4 O60885 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL18515397 0.90 FFAR4 (0.48) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL18760766 0.89 MAPT (0.47) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL18514522 0.89 HTT (0.44) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL18513856 0.89 NPC1 (0.48) ALDH1A1MAPTSMN1; SMN2GAARAB9A
SCHEMBL18748809 0.89 KMT2A (0.50) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL18514927 0.88 SMN1; SMN2 (0.40) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL18514313 0.88 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL18514267 0.86 MAPT (0.42) KMT2AALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL18515426 0.86 MRGPRX4 (0.45) KMT2AMEN1GAACYP1A2CYP2C19
SCHEMBL18514528 0.86 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1HTTMAPT

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-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
EP-3130584-A1 AROMATIC COMPOUND AND USES THEREOF Sumitomo Chemical Company Limited (JP) 2017-02-15 EP 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.