SCHEMBL7633690

SCHEMBL7633690

CCOC(=O)C1CCC(O)C=C1c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7636143 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ECHRM2CHRM4
SCHEMBL7636115 0.85 CHRM2 (0.52) ALDH1A1KDM4ECHRM2CHRM4CHRM5
SCHEMBL7640070 0.83 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ECHRM2CHRM4
SCHEMBL7636186 0.81 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ECHRM2CHRM4
SCHEMBL7635154 0.80 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ECHRM2CHRM4
SCHEMBL7637466 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ECHRM2CHRM4
SCHEMBL7634499 0.78 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ECHRM2CHRM4
SCHEMBL7635109 0.77 CHRM2 (0.39) ALDH1A1MAPTKDM4ECHRM2CHRM4
SCHEMBL7635138 0.77 GAA (0.47) ALDH1A1MAPTKDM4ECHRM2CHRM4
SCHEMBL7638745 0.76 GAA (0.42) ALDH1A1MAPTKDM4ETSHRMEN1

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 ALDH1A1 1596/4885MAPT 4234/4885KDM4E 1200/4885

“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.