SCHEMBL7643676

SCHEMBL7643676

CCOC(=O)C1CCC(=O)C=C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
LMNA P02545 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.47
AR P10275 3/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
PRKCZ Q05513 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
SCHEMBL7633659 0.85 MEN1 (0.46) ALDH1A1LMNAMAPTPKMHTT
SCHEMBL7642686 0.83 ALDH1A1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL7634605 0.83 CHRM2 (0.50) ALDH1A1KMT2AADORA3
SCHEMBL7642354 0.81 MAPT (0.51) ALDH1A1LMNAMAPTSMN1; SMN2PKM
SCHEMBL7638589 0.81 TLR4 (0.41) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL7633127 0.79 MAPT (0.49) ALDH1A1LMNAMAPTSMN1; SMN2PKM
SCHEMBL7642317 0.78 MAPT (0.46) ALDH1A1LMNAMAPTSMN1; SMN2PKM
SCHEMBL7641782 0.76 MAPT (0.47) ALDH1A1LMNAMAPTSMN1; SMN2PKM
SCHEMBL7636468 0.75 GAA (0.46) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL7633650 0.75 MAPT (0.47) ALDH1A1LMNAMAPTSMN1; SMN2PKM

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 1596/4885LMNA 1787/4885MAPT 4234/4885

“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.