SCHEMBL23718965

SCHEMBL23718965

CC(C)C(C)c1ccc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MMP12 P39900 1/20 0.39
PRKCI P41743 1/20 0.38
RAD52 P43351 1/20 0.37
PDE2A O00408 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
QPCT Q16769 3/20 0.35
CYP3A4 P08684 2/20 0.34
NAMPT P43490 1/20 0.34
XDH P47989 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL21152556 1.00 MAPT (0.40) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL5526838 0.85 MAPT (0.42) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL21266994 0.82 MAPT (0.40) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL21284894 0.82 MAPT (0.40) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL5404733 0.82 MAPT (0.40) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL24049916 0.79 MAPT (0.38) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL18430215 0.79 SCN10A (0.42) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL20032424 0.77 MAPT (0.39) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL19522879 0.77 HTT (0.36) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL21240033 0.77 HTT (0.36) MAPTKDM4ETDP1ALDH1A1APEX1

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-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-07-11 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 (2 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP MAPT 537/4885KDM4E 353/4885TDP1 1072/4885
US-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 MAPT 680/4885KDM4E 2740/4885TDP1 1277/4885

“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.