SCHEMBL4129848

SCHEMBL4129848

CC(C)(C)[Si](C)(C)Oc1cc(C(=O)O)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TTR P02766 5/20 0.44
ALB P02768 1/20 0.44
TSHR P16473 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PDE5A O76074 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
SCHEMBL8940576 0.87 CA12 (0.51) HTTRAB9ALMNAMAPK1CA12
SCHEMBL4129438 0.86 HTT (0.34) HTTRAB9ALMNAMAPK1CA12
SCHEMBL8696286 0.84 CA12 (0.45) HTTRAB9ALMNAMAPK1CA12
SCHEMBL3964477 0.84 HTT (0.58) HTTRAB9ACA12CA1CA2
SCHEMBL2914020 0.83 CA12 (0.65) HTTRAB9ALMNAMAPK1CA12
SCHEMBL4339762 0.83 TSHR (0.47) HTTRAB9ACA12CA1CA2
SCHEMBL1975152 0.83 CA12 (0.65) HTTRAB9ALMNAMAPK1CA12
SCHEMBL29286539 0.81 TTR (0.50) HTTRAB9ALMNAMAPK1CA12
SCHEMBL12554693 0.81 CA12 (0.45) HTTRAB9ALMNAMAPK1CA12
SCHEMBL757232 0.80 MLYCD (0.44) HTTRAB9ALMNAMAPK1CA12

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-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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HTT 4515/4885RAB9A 2883/4885LMNA 4545/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 HTT 4515/4885RAB9A 2883/4885LMNA 4545/4885

“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.