SCHEMBL18514801

SCHEMBL18514801

CCOc1cccc(NC(=O)OC)c1COc1cc(C)c(CC)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNMA1 Q12791 1/20 0.38
TP53 P04637 1/20 0.38
AHR P35869 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
SCHEMBL18514876 0.93 SMN1; SMN2 (0.46) TSHRGAASMN1; SMN2MAPTPOLB
SCHEMBL18514815 0.93 TSHR (0.40) TSHRGAASMN1; SMN2KDM4EMAPT
SCHEMBL18748957 0.92 GAA (0.40) TSHRGAASMN1; SMN2KDM4EHSD17B10
SCHEMBL18514807 0.92 MAPT (0.39) TSHRGAASMN1; SMN2KDM4EHSD17B10
SCHEMBL18749008 0.92 MAPT (0.44) TSHRGAASMN1; SMN2KDM4EMAPT
SCHEMBL18514812 0.91 SLC22A12 (0.43) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL18513880 0.90 ALDH1A1 (0.41) TSHRGAASMN1; SMN2MAPTPOLB
SCHEMBL18514789 0.90 ALDH1A1 (0.41) TSHRGAASMN1; SMN2KDM4EMAPT
SCHEMBL18514975 0.90 LMNA (0.40) TSHRGAASMN1; SMN2MAPTPOLB
SCHEMBL18514800 0.90 SLC22A12 (0.40) SMN1; SMN2KDM4EMAPTPOLBALDH1A1

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 TSHR 804/4885GAA 3081/4885SMN1; SMN2 3813/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 TSHR 756/4885GAA 3763/4885SMN1; SMN2 4067/4885

“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.