SCHEMBL18514533

SCHEMBL18514533

CCc1ccc(OCc2c(NC(=O)OC)cccc2OC)c(C(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MAPT P10636 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL18514531 0.94 POLB (0.39) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL18514535 0.92 AAK1 (0.36) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL18515074 0.91 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL18514537 0.91 SLC22A12 (0.41) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL18514539 0.91 AAK1 (0.36) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL18514529 0.90 RAB9A (0.39) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL18514536 0.89 ALDH1A1 (0.41) KMT2ASMN1; SMN2HTTLMNANPC1
SCHEMBL18514530 0.89 KMT2A (0.36) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL18514532 0.89 AAK1 (0.35) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL18514552 0.89 KMT2A (0.38) KMT2ASMN1; SMN2HTTLMNAMEN1

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 705/4885SMN1; SMN2 3813/4885HTT 2020/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 KMT2A 1447/4885SMN1; SMN2 4067/4885HTT 2506/4885

“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.