SCHEMBL18178779

SCHEMBL18178779

CCC(=O)Oc1cccc(CO)c1COc1cc(C)c(C)cc1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
GUCY1B2 O75343 4/20 0.33
GUCY1A2 P33402 4/20 0.33
GUCY1A1 Q02108 4/20 0.33
GUCY1B1 Q02153 4/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ACLY P53396 1/20 0.31

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
SCHEMBL18178777 0.93 ACHE (0.36) ACHEKMT2AKDM4EHPGDHSD17B10
SCHEMBL18178614 0.93 GUCY1B2 (0.35) ACHEKMT2AKDM4EHPGDHSD17B10
SCHEMBL18178668 0.92 MRGPRX4 (0.36) ACHEKMT2AKDM4EHPGDHSD17B10
SCHEMBL18178775 0.90 ACHE (0.34) ACHEKMT2AKDM4EHPGDHSD17B10
SCHEMBL18178404 0.89 KDM4E (0.33) KDM4EHPGDHSD17B10LMNANPSR1
SCHEMBL18178776 0.89 SLC22A12 (0.40) ACHEKMT2AKDM4EHPGDHSD17B10
SCHEMBL18178506 0.88 KMT2A (0.35) ACHEKMT2AKDM4EHPGDHSD17B10
SCHEMBL18182471 0.88 ACHE (0.36) ACHEKMT2AKDM4EHPGDHSD17B10
SCHEMBL18178783 0.88 MRGPRX4 (0.38) ACHEKMT2AKDM4EHPGDHSD17B10
SCHEMBL18178757 0.88 NPSR1 (0.39) ACHEKMT2AKDM4EHPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 US 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 (1 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 ACHE 460/4885KMT2A 2232/4885KDM4E 2107/4885

“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.