SCHEMBL7635109

SCHEMBL7635109

CCOC(=O)C1CCC(O)C=C1c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CDC7 O00311 5/20 0.39
DBF4 Q9UBU7 5/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 3/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPID Q08752 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7633671 0.87 CASP1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7635154 0.86 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7636115 0.86 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7635138 0.86 GAA (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7638745 0.83 GAA (0.42) MAPTKDM4EGAARAB9AALDH1A1
SCHEMBL7642354 0.80 MAPT (0.51) MAPTGAARAB9AALDH1A1LMNA
SCHEMBL7637466 0.80 ALDH1A1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7638589 0.79 TLR4 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7633690 0.77 ALDH1A1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22855358 0.76 ALDH1A1 (0.44) MAPTKDM4EGAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340772-B2 AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE NIPPON KAYAKU CO., LTD. (JP) 2002-01-22 US disclosed
US-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives TOYA TETSUYA (JP) 2001-09-06 US disclosed
US-6271418-B1 AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE DERIVATIVES. NIPPON KAYAKU CO., LTD. (JP) 2001-08-07 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-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives AHR, CYP3A4, CYP4B1 CHRM2 3042/4885CHRM4 2453/4885CHRM5 3232/4885

“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.