SCHEMBL12420867

SCHEMBL12420867

CC(C)(C)c1ccc(CCOc2cc(C(=O)O)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
KDM5A P29375 3/20 0.44
KDM5B Q9UGL1 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
NR1H4 Q96RI1 4/20 0.43
EPHX2 P34913 2/20 0.43
RXRG P48443 1/20 0.43
ESRRG P62508 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SRD5A2 P31213 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
XDH P47989 2/20 0.40
COPS5 Q92905 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39

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
SCHEMBL12420736 0.84 KDM5A (0.52) NR4A2KDM5AKDM5BKDM4CNR1H4
SCHEMBL12420870 0.81 HPGD (0.55)
SCHEMBL25049489 0.76 KDM4C (0.57) KDM5AKDM5BKDM4C
SCHEMBL12800159 0.75 KDM4C (0.45) KDM5AKDM5BKDM4C
SCHEMBL30464945 0.75 KDM4C (0.50) KDM5AKDM5BKDM4C
SCHEMBL31729821 0.75 TP53 (0.55) KDM5AKDM5BKDM4C
SCHEMBL17412498 0.75 PLA2G2A (0.55) KDM5AKDM5BKDM4C
SCHEMBL2585341 0.75 KDM4C (0.50) KDM5AKDM5BKDM4C
SCHEMBL18654720 0.75 KDM4C (0.43) KDM5AKDM5BKDM4C
SCHEMBL12420751 0.74 KDM5A (0.57) NR4A2KDM5AKDM5BKDM4CMRGPRX4

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R NR4A2 3133/4885NR4A1 3622/4885NR4A3 3107/4885

“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.