SCHEMBL24025972

SCHEMBL24025972

CCC(C)c1ccc2[nH]nc(C(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GSK3B P49841 3/20 0.34
JAK2 O60674 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GRM4 Q14833 1/20 0.34
HTR1D P28221 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TSHR P16473 1/20 0.33
PLK4 O00444 2/20 0.32

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
SCHEMBL12120600 0.85 HTR1D (0.41) GAAALDH1A1LMNAHTTGSK3B
SCHEMBL13550188 0.78 HTR1A (0.39) GAAALDH1A1HPGDLMNAGSK3B
SCHEMBL22156376 0.77 GSK3B (0.33) GSK3BHTR1D
SCHEMBL22643896 0.76 GAA (0.34) GAAALDH1A1USP2PKMHPGD
SCHEMBL24991937 0.75 KIF11 (0.41) GAAALDH1A1USP2PKMHPGD
SCHEMBL12123795 0.75 MAP2K4 (0.50) ALDH1A1HPGDALOX15HSD17B10GSK3B
SCHEMBL21677455 0.74 GAA (0.46) GAAALDH1A1USP2PKMHPGD
SCHEMBL22890815 0.73 GSK3B (0.59) GAAALDH1A1PKMHPGDHTT
SCHEMBL12963901 0.73 ITK (0.43) GSK3BGSK3A
SCHEMBL29643965 0.73 GSK3B (0.59) GAAALDH1A1PKMHPGDHTT

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-20210355112-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2021-11-18 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-20210355112-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR GAA 121/4885ALDH1A1 3081/4885USP2 3034/4885

“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.