SCHEMBL4124137

SCHEMBL4124137

CC(CC(N)=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX12 P18054 2/20 0.47
HIF1A Q16665 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.42
THRB P10828 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4124134 1.00 TSHR (0.47) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL7083712 0.93 ALDH1A1 (0.58) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL5861572 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL2705958 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL4124188 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL1820670 0.82 RAB9A (0.47) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL12096331 0.82 RAB9A (0.47) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL14223257 0.82 FPR2 (0.47) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL22773550 0.82 KMT2A (0.49) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL23131258 0.81 TSHR (0.47) TSHRALDH1A1CYP3A4ALOX15HSD17B10

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 9 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
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
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 TSHR 738/4885ALDH1A1 1599/4885CYP3A4 3022/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TSHR 800/4885ALDH1A1 2039/4885CYP3A4 2852/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TSHR 738/4885ALDH1A1 1599/4885CYP3A4 3022/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 TSHR 922/4885ALDH1A1 1663/4885CYP3A4 3322/4885

“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.