SCHEMBL7644165

SCHEMBL7644165

COC(=O)C1CCC(=O)C=C1c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 3/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7633659 0.87 MEN1 (0.46) ALDH1A1KMT2AMAPT
SCHEMBL7640072 0.87 CHRM2 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1KMT2A
SCHEMBL7928906 0.85 ALDH1A1 (0.37) ALDH1A1POLBKMT2AMAPTSMN1; SMN2
SCHEMBL7640107 0.78 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL7642686 0.77 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBKMT2AMAPT
SCHEMBL7634605 0.76 CHRM2 (0.50) ALDH1A1L3MBTL1KMT2A
SCHEMBL2015282 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL7636586 0.75 ALDH1A1 (0.36) SLC6A3SLC6A2SLC6A4ALDH1A1L3MBTL1
SCHEMBL7640659 0.75 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4ALDH1A1L3MBTL1
SCHEMBL7638589 0.74 TLR4 (0.41) ALDH1A1KMT2AMAPT

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 SLC6A3 3302/4885SLC6A2 3287/4885SLC6A4 2451/4885

“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.