SCHEMBL30956576

SCHEMBL30956576

O=C1CCC(Cn2cnc3cccc(Cl)c3c2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 6/20 0.54
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
BRAF P15056 1/20 0.38
GRM2 Q14416 2/20 0.38
KCNH2 Q12809 1/20 0.38
PARP1 P09874 1/20 0.38
GRM1 Q13255 2/20 0.36
ACHE P22303 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL30110877 0.83 HSD17B13 (0.48) HSD17B13KDM4EALDH1A1HPGDMAPK1
SCHEMBL24441635 0.77 HSD17B13 (0.52) HSD17B13KDM4EALDH1A1HSD17B10SIGMAR1
SCHEMBL30563809 0.77 HSD17B13 (0.52) HSD17B13KDM4EALDH1A1HSD17B10SIGMAR1
SCHEMBL14161796 0.76 CNR1 (0.45) HSD17B13KDM4EALDH1A1HSD17B10PARP1
SCHEMBL16587068 0.75 CLK1 (0.46) HSD17B13BRAFPARP1GRM1
SCHEMBL30110965 0.74 HSD17B13 (0.58) HSD17B13KDM4EMAPK1
SCHEMBL30563805 0.73 HSD17B13 (0.48) HSD17B13KDM4EALDH1A1SIGMAR1BRAF
SCHEMBL30110945 0.72 POLB (0.44) HSD17B13KDM4EALDH1A1HSD17B10PARP1
SCHEMBL30111220 0.72 TRPA1 (0.49) HSD17B13KDM4ETRPA1
SCHEMBL30110935 0.72 MAPT (0.43) HSD17B13KDM4EALDH1A1HSD17B10PARP1

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-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 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-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 HSD17B13 2663/4885KDM4E 1134/4885ALDH1A1 3565/4885

“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.