SCHEMBL4124567

SCHEMBL4124567

COC(=O)CCC(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
ATM Q13315 1/20 0.44
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL18367285 0.82 DGAT1 (0.50) HSD17B10KDM4ETP53HPGDL3MBTL1
SCHEMBL7131562 0.78 TDP1 (0.47) KDM4EHPGDKMT2AMEN1TSHR
SCHEMBL30955358 0.78 ERCC5 (0.53) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL20945673 0.78 ERCC5 (0.53) HSD17B10KDM4EHPGDKMT2AMEN1
SCHEMBL393318 0.77 NR4A2 (0.51) HSD17B10HPGDL3MBTL1FLT1FLT4
SCHEMBL1350653 0.77 ALDH1A1 (0.46) HPGDL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL14443210 0.77 MAPT (0.62) KDM4EL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL17491162 0.76 ERCC5 (0.51) HPGDFLT1FLT4KDRALDH1A1
SCHEMBL9524496 0.75 ALDH1A1 (0.46) HPGDKMT2AFLT1FLT4KDR
SCHEMBL9524501 0.75 ALDH1A1 (0.46) HPGDKMT2AFLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO 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 (4 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 HSD17B10 901/4885KDM4E 4797/4885TP53 4583/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 HSD17B10 1029/4885KDM4E 4690/4885TP53 4653/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 HSD17B10 901/4885KDM4E 4797/4885TP53 4583/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 HSD17B10 959/4885KDM4E 4782/4885TP53 4673/4885

“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.