SCHEMBL18514822

SCHEMBL18514822

CCc1cc(CC)c(OCc2c(NC(=O)OC)cccc2OC)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
AKR1C3 P42330 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18514807 0.93 MAPT (0.39) MAPTALDH1A1NPSR1MAPK1GFER
SCHEMBL18514815 0.92 TSHR (0.40) MAPTALDH1A1NPSR1HPGDTSHR
SCHEMBL18514814 0.92 SLC22A12 (0.41) MAPTALDH1A1HPGDTAS1R3TAS1R1
SCHEMBL18514819 0.91 HPGD (0.38) MAPTALDH1A1HPGDTSHRKMT2A
SCHEMBL18513879 0.90 KMT2A (0.40) MAPTALDH1A1NPSR1MAPK1GFER
SCHEMBL18514974 0.90 KMT2A (0.40) MAPTALDH1A1NPSR1MAPK1GFER
SCHEMBL18514798 0.90 ALDH1A1 (0.39) MAPTALDH1A1NPSR1MAPK1GFER
SCHEMBL18515086 0.90 HTT (0.44) MAPTALDH1A1NPSR1MAPK1GFER
SCHEMBL18514241 0.89 ALDH1A1 (0.39) MAPTALDH1A1NPSR1MAPK1GFER
SCHEMBL18514818 0.88 SLC22A12 (0.36) MAPTALDH1A1NPSR1HPGDAKR1C3

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-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
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 MAPT 3329/4885ALDH1A1 1238/4885NPSR1 1960/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MAPT 2998/4885ALDH1A1 1416/4885NPSR1 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.