SCHEMBL4814802

SCHEMBL4814802

C=Cc1cc2c(cc1CC)C(=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.43
PBRM1 Q86U86 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 2/20 0.34
CYP24A1 Q07973 1/20 0.34
BRD4 O60885 2/20 0.33
PTGS1 P23219 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
PGR P06401 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL866242 0.80 HSD17B1 (0.51) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL23782694 0.76 PBRM1 (0.38) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL6193935 0.75 NPC1 (0.33) HSD17B1
SCHEMBL4812130 0.74 HSD17B1 (0.62) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL28924744 0.73 GRIN2D (0.32)
SCHEMBL4812617 0.72 TUBB4A (0.43)
Water SCHEMBL20239050 0.71 GRIN2D (0.31)
SCHEMBL4816146 0.71 HSD17B1 (0.54) HSD17B1HSD17B10
SCHEMBL1090741 0.71 ACHE (0.36) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL8378981 0.69 GRIN2D (0.34)

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 HSD17B1 2373/4885PBRM1 1012/4885CASP1 1504/4885

“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.