SCHEMBL1797420

SCHEMBL1797420

COC(=O)C(C)(C)C/C=C\c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TBXAS1 P24557 2/20 0.41
▸ GRIK1 P39086 1/20 0.41
▸ GRIK2 Q13002 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RARA P10276 2/20 0.40
▸ RARB P10826 2/20 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
SCHEMBL1797421 1.00 XDH (0.44) XDHMAPTTDP1SMN1; SMN2TP53
SCHEMBL9335495 0.74 XDH (0.51) XDHMAPTTDP1SMN1; SMN2TP53
SCHEMBL17651678 0.73 PPARA (0.62) CYP3A4GRIK1GRIK2MMP1MMP9
SCHEMBL16213234 0.73 PPARA (0.62) CYP3A4GRIK1GRIK2MMP1MMP9
SCHEMBL4663311 0.72 ALDH1A1 (0.52) XDHMAPTTDP1SMN1; SMN2TP53
SCHEMBL4663315 0.72 ALDH1A1 (0.52) XDHMAPTTDP1SMN1; SMN2TP53
SCHEMBL5638589 0.71 MAPT (0.56) XDHMAPTTDP1SMN1; SMN2TP53
SCHEMBL5638591 0.71 MAPT (0.56) XDHMAPTTDP1SMN1; SMN2TP53
SCHEMBL14499624 0.71 MAPT (0.56) XDHMAPTTDP1SMN1; SMN2TP53
SCHEMBL880014 0.71 ALDH1A1 (0.54) MAPTTDP1ALDH1A1HTTCA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 — — US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 — — US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 — — 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 (3 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 XDH 1007/4885MAPT 4208/4885TDP1 4779/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 XDH 1007/4885MAPT 4208/4885TDP1 4779/4885
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGER2, PTGDR2, PTGER1 XDH 769/4885MAPT 4572/4885TDP1 4484/4885

“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.

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