SCHEMBL21038121

SCHEMBL21038121

CC(C)(C)c1ccc(OCCC(C)(C)c2ccc(F)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.37
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ACACB O00763 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL12109478 0.76 ACACB (0.47) RAB9AKDM4EACACBPOLBHPGD
SCHEMBL4792486 0.75 RAB9A (0.62) RAB9AKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL19177147 0.75 SMN1; SMN2 (0.40) RAB9AKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL270846 0.74 SMN1; SMN2 (0.44) RAB9AKDM4EACACBPOLBHPGD
SCHEMBL10223604 0.74 POLB (0.45) RAB9AKDM4EACACBPOLBHPGD
SCHEMBL13165244 0.74 KDM4E (0.41) RAB9AKDM4EACACBPOLBHPGD
SCHEMBL18745079 0.74 KDM4E (0.33) RAB9AKDM4EACACBPOLBKMT2A
SCHEMBL13844042 0.73 KDM4E (0.41) RAB9AKDM4EACACBPOLBHPGD
SCHEMBL12139578 0.72 MAPT (0.49) RAB9AKDM4EACACBPOLBHPGD
SCHEMBL12449615 0.72 KDM4E (0.58) RAB9AKDM4EPOLBALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301317-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2019-05-28 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-10301317-B2 Inhibitors of ERK and methods of use MAP3K1, MAP3K2, MAP3K6 ELOVL1 2056/4885RAB9A 1790/4885KDM4E 2463/4885

“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.