SCHEMBL18514975

SCHEMBL18514975

CCOc1cccc(NC(=O)OC)c1COc1cc(C)c(CC)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 5/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNMA1 Q12791 1/20 0.36

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
SCHEMBL18514974 0.93 KMT2A (0.40) LMNAMEN1KMT2ATSHRGAA
SCHEMBL18748864 0.93 LMNA (0.44) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL18514947 0.91 SLC22A12 (0.39) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL18514801 0.90 TSHR (0.40) TSHRGAASMN1; SMN2MAPTPOLB
SCHEMBL18514815 0.90 TSHR (0.40) KMT2ATSHRGAASMN1; SMN2MAPT
SCHEMBL18514929 0.90 SMN1; SMN2 (0.36) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL18760700 0.90 MEN1 (0.37) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL18514611 0.90 LMNA (0.44) LMNAMEN1KMT2ATSHRGAA
SCHEMBL18514830 0.89 LMNA (0.39) LMNAMEN1KMT2ATSHRGAA
SCHEMBL18513880 0.88 ALDH1A1 (0.41) LMNAMEN1KMT2ATSHRGAA

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 LMNA 2808/4885MEN1 1194/4885KMT2A 705/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 LMNA 3163/4885MEN1 2823/4885KMT2A 1447/4885

“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.