SCHEMBL6406763

SCHEMBL6406763

CCN(CC)Cc1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
BCHE P06276 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
AOC3 Q16853 1/20 0.41
ALDH1A3 P47895 2/20 0.40
PTGS2 P35354 1/20 0.40
ALDH3A1 P30838 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2A6 P11509 1/20 0.40
SQLE Q14534 1/20 0.39

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
SCHEMBL6405794 0.86 TSHR (0.47) BCHECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL609108 0.82 TDP1 (0.46) ACHEBCHECYP1A2CYP2D6CYP2C9
SCHEMBL5778962 0.81 ALDH1A1 (0.48) ACHEMAOAMAOBHRH3ALDH1A1
SCHEMBL11240427 0.81 KCNH2 (0.44) BCHE
SCHEMBL14399887 0.81 BCHE (0.46) ACHEBCHECYP1A2CYP2D6CYP2C9
SCHEMBL7766011 0.80 HRH3 (0.56) ACHEBCHECYP1A2CYP2D6CYP2C9
SCHEMBL10658892 0.80 OPRM1 (0.53) ACHEBCHECYP1A2CYP2D6MAOA
SCHEMBL6140922 0.80 CYP1A2 (0.46) ACHEBCHECYP1A2CYP2D6CYP2C9
SCHEMBL2043393 0.79 HRH3 (0.61) ACHEMAOBHRH3ALDH1A1ALDH1A3
SCHEMBL190072 0.79 ALDH1A1 (0.54) MAOAMAOBALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222098-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2005-10-06 US disclosed
EP-0767798-B1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK AS (DK) 2003-09-03 EP disclosed
US-20030004148-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2003-01-02 US disclosed
EP-0767798-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1997-04-16 EP disclosed
WO-1996000235-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1996-01-04 WO 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 (2 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-20050222098-A1 Regulation of meiosis ALPG, MNS1, BUB1B ACHE 4254/4885BCHE 3553/4885CYP1A2 2779/4885
US-20030004148-A1 Regulation of meiosis ALPG, MNS1, BUB1B ACHE 4254/4885BCHE 3553/4885CYP1A2 2779/4885

“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.