SCHEMBL22845298

SCHEMBL22845298

Cc1ncc(-c2ccc(C(C)(C)C)cc2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
KIF11 P52732 2/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
GSK3B P49841 4/20 0.40
DYRK1A Q13627 4/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL14077014 0.78 GAA (0.54) POLBKDM4EALDH1A1HPGDALOX15
SCHEMBL14077000 0.78 USP2 (0.66) KDM4EALDH1A1TP53USP2MAPK1
SCHEMBL12721184 0.77 CYP1A2 (0.63) KDM4EALDH1A1ALOX15HSD17B10TDP1
SCHEMBL22964377 0.74 TP53 (0.53) TP53USP2MAPK1MAPTGAA
SCHEMBL24460261 0.73 ATP1A1 (0.55) POLBTP53MAPTGAAGSK3B
SCHEMBL24173752 0.73 ALDH1A1 (0.50) POLBKDM4EALDH1A1HPGDALOX15
SCHEMBL28025736 0.72 GSK3B (0.46) POLBTP53USP2MAPK1MAPT
SCHEMBL20075874 0.72 MAPT (0.40) TP53USP2MAPK1MAPTGAA
SCHEMBL10154092 0.71 KIF11 (0.38) POLBKDM4EALDH1A1HPGDALOX15
SCHEMBL14006037 0.70 ALDH1A1 (0.51) POLBKDM4EALDH1A1HPGDALOX15

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-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL POLB 3198/4885KDM4E 4358/4885ALDH1A1 648/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL POLB 3198/4885KDM4E 4358/4885ALDH1A1 648/4885

“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.