SCHEMBL7633650

SCHEMBL7633650

CCOC(=O)C1CC=CC=C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
AR P10275 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PRKCZ Q05513 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL7641420 0.85 CHRM2 (0.40) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL7634528 0.82 CHRM2 (0.51) KMT2ARAB9A
SCHEMBL7641399 0.81 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7640098 0.80 CHRM2 (0.39) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL7642317 0.79 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL7642354 0.77 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL7633127 0.75 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL7643676 0.75 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL7638346 0.75 GAA (0.44) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL7641782 0.73 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNAPKM

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 MAPT 4234/4885ALDH1A1 1596/4885SMN1; SMN2 4141/4885

“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.