SCHEMBL18514798

SCHEMBL18514798

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 5/20 0.39
NPSR1 Q6W5P4 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 6/20 0.39
MAPK10 P53779 1/20 0.39
FGFR4 P22455 3/20 0.38
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL18514789 0.93 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL18514784 0.92 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18514794 0.91 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18514788 0.91 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18514317 0.91 FGFR4 (0.44) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL18514807 0.90 MAPT (0.39) ALDH1A1RAB9AKDM4ENPSR1LMNA
SCHEMBL18514822 0.90 MAPT (0.39) ALDH1A1KDM4ENPSR1LMNASMN1; SMN2
SCHEMBL18514567 0.89 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL18514787 0.88 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL18514797 0.88 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AKDM4ELMNA

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 ALDH1A1 1238/4885NPC1 1784/4885RAB9A 143/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 ALDH1A1 1416/4885NPC1 2473/4885RAB9A 338/4885

“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.