SCHEMBL11959136

SCHEMBL11959136

CC(C)(C)OC(=O)CN1C(=O)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
ALDH3A1 P30838 6/20 0.51
ALDH2 P05091 3/20 0.51
CASP3 P42574 1/20 0.48
CUL4A Q13619 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
AGTR1 P30556 1/20 0.45
CES1 P23141 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA6 Q16445 1/20 0.42
CCKBR P32239 1/20 0.42

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
SCHEMBL18954832 0.90 APAF1 (0.48) ALDH1A1ALDH3A1ALDH2CASP3CUL4A
SCHEMBL18954431 0.86 ALDH1A1 (0.72) ALDH1A1CASP3CUL4APOLBMAPT
SCHEMBL11959135 0.85 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH2CUL4APOLB
SCHEMBL18954782 0.85 ALDH1A1 (0.53) ALDH1A1ALDH3A1ALDH2CASP3CUL4A
SCHEMBL18954565 0.85 PARK7 (0.62) ALDH1A1ALDH3A1CASP3CUL4AAGTR1
SCHEMBL18955121 0.85 ALDH1A1 (0.53) ALDH1A1CASP3CUL4AAGTR1CES1
SCHEMBL14876438 0.84 PARK7 (0.53) ALDH1A1CASP3CUL4APOLBMAPT
SCHEMBL27703276 0.83 ALDH1A1 (0.76) ALDH1A1ALDH3A1ALDH2CUL4APOLB
SCHEMBL18954790 0.82 ALDH1A1 (0.55) ALDH1A1CASP3CUL4AMAPTAGTR1
SCHEMBL18955297 0.81 CASP3 (0.55) ALDH1A1CASP3

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-8236963-B2 Tricyclic spiro derivatives as CRTH2 modulators MERCK SERONO SA (CH) 2012-08-07 US disclosed
US-8236963-B2 Tricyclic spiro derivatives as CRTH2 modulators MERCK SERONO SA (CH) 2012-08-07 US disclosed
EP-1891075-B1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO SA (CH) 2011-10-19 EP disclosed
US-20090318486-A1 Tricyclic spiro derivatives as CRTH2 modulators LABORATOIRES SERONO S.A. (CH) 2009-12-24 US disclosed
US-20090318486-A1 Tricyclic spiro derivatives as CRTH2 modulators LABORATOIRES SERONO S.A. (CH) 2009-12-24 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-20090318486-A1 Tricyclic spiro derivatives as CRTH2 modulators RORB, NR3C2, NR1H2 ALDH1A1 677/4885ALDH3A1 716/4885ALDH2 1110/4885

“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.