SCHEMBL18514531

SCHEMBL18514531

CCOc1cccc(NC(=O)OC)c1COc1ccc(CC)cc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 5/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAPT P10636 2/20 0.36
CREBBP Q92793 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18514533 0.94 KMT2A (0.40) KMT2AGAAMEN1TSHRKDM4E
SCHEMBL18514535 0.92 AAK1 (0.36) POLBALDH1A1KMT2AGAAMEN1
SCHEMBL18514539 0.91 AAK1 (0.36) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL18514537 0.91 SLC22A12 (0.41) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL18515052 0.90 GAA (0.42) POLBALDH1A1KMT2AGAAMEN1
SCHEMBL18514529 0.90 RAB9A (0.39) POLBALDH1A1KMT2AGAAMEN1
SCHEMBL18748857 0.90 KCNMA1 (0.41) POLBKMT2AGAAMEN1TSHR
SCHEMBL18514536 0.89 ALDH1A1 (0.41) POLBALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL18514532 0.89 AAK1 (0.35) POLBALDH1A1KMT2AGAAMEN1
SCHEMBL18514530 0.89 KMT2A (0.36) POLBALDH1A1KMT2AGAAMEN1

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 POLB 4673/4885ALDH1A1 1238/4885KMT2A 705/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 POLB 4487/4885ALDH1A1 1416/4885KMT2A 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.