SCHEMBL18514974

SCHEMBL18514974

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 6/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C3 P42330 1/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL18514975 0.93 LMNA (0.40) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18514947 0.92 SLC22A12 (0.39) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18514929 0.91 SMN1; SMN2 (0.36) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18760700 0.91 MEN1 (0.37) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18514604 0.91 HTT (0.42) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18514822 0.90 MAPT (0.39) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18514807 0.90 MAPT (0.39) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18514839 0.89 MEN1 (0.38) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18515003 0.88 MEN1 (0.35) KMT2AMEN1POLBMAPTLMNA
SCHEMBL18514970 0.88 LMNA (0.36) KMT2AMEN1POLBMAPTLMNA

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 KMT2A 705/4885MEN1 1194/4885POLB 4673/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 KMT2A 1447/4885MEN1 2823/4885POLB 4487/4885

“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.