SCHEMBL6287344

SCHEMBL6287344

COC(=O)Cc1ccccc1-c1cccc(N)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.40
RCE1 Q9Y256 1/20 0.40
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFD P00746 1/20 0.38
LMNA P02545 1/20 0.36
TNF P01375 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 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
SCHEMBL644296 0.80 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6287351 0.79 CYP4F2 (0.49) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6136332 0.79 DPP4 (0.46) KDM4EALDH1A1GAAGFERHSD17B10
Hydrochloric Acid SCHEMBL31720563 0.78 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1772178 0.78 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL29061400 0.77 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28842276 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HPGDRCE1GAA
SCHEMBL2203933 0.76 ALDH1A1 (0.46) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL31607690 0.76 ALDH1A1 (0.46) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL8524830 0.75 ESR1 (0.47) KDM4EALDH1A1HPGDRCE1GAA

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-6852761-B2 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-02-08 US disclosed
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-12-25 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-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT MEN1 3795/4885NPC1 3503/4885RAB9A 4407/4885

“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.