SCHEMBL20868499

SCHEMBL20868499

CC(C)(C)c1cc(N)cnc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
DHFR P00374 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL24107257 0.80 NOS3 (0.38) KDM4EPOLBRAB9AALDH1A1
SCHEMBL24506836 0.80 KDM4E (0.33) KDM4EPOLBRAB9A
SCHEMBL16181783 0.78 HSD17B10 (0.33) KDM4EPOLBRAB9ADHFRALDH1A1
SCHEMBL25111658 0.77 PIK3CD (0.38) KDM4EPOLBRAB9ADHFRALDH1A1
SCHEMBL16302764 0.76 SMN1; SMN2 (0.43) KDM4EPOLBALDH1A1CYP1A2MAPT
SCHEMBL13253377 0.76 HSP90AA1 (0.36) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL22949453 0.74 L3MBTL1 (0.33) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL22428717 0.74 KDM4E (0.31) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL25623946 0.74 HTT (0.35) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL17363216 0.71 KDM4E (0.39) KDM4EPOLBRAB9ADHFRALDH1A1

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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC KDM4E 3941/4885POLB 195/4885RAB9A 173/4885

“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.