SCHEMBL18514529

SCHEMBL18514529

CCc1ccc(OCc2c(F)cccc2NC(=O)OC)c(C(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 3/20 0.36
FAAH O00519 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
PTGER3 P43115 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4D Q08499 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL18514535 0.92 AAK1 (0.36) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL18514532 0.91 AAK1 (0.35) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL18514539 0.91 AAK1 (0.36) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL18514537 0.91 SLC22A12 (0.41) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL18514533 0.90 KMT2A (0.40) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL18515070 0.90 ALDH1A1 (0.42) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL18514531 0.90 POLB (0.39) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL18514536 0.89 ALDH1A1 (0.41) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL18514530 0.89 KMT2A (0.36) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL18748918 0.89 RAB9A (0.40) RAB9ANPC1KMT2AMEN1KDM4E

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 RAB9A 143/4885NPC1 1784/4885KMT2A 705/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 RAB9A 338/4885NPC1 2473/4885KMT2A 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.