SCHEMBL6274047

SCHEMBL6274047

CC1(C)OC2C(CN3C(=O)c4ccccc4C3=O)OC(C)(O)[C@@H]2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PLIN1 O60240 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
PLIN5 Q00G26 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35
ACHE P22303 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6274051 1.00 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL18121289 0.77 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL20345394 0.77 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL20033568 0.77 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL18091410 0.77 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL11124037 0.75 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL14296887 0.75 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL3782873 0.74 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL19843959 0.73 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL17983228 0.73 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD

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-20050176752-A1 Process for the preparation of piperidine derivatives DELMAR CHEMICALS INC. (CA) 2005-08-11 US disclosed
US-20050176752-A1 Process for the preparation of piperidine derivatives DELMAR CHEMICALS INC. (CA) 2005-08-11 US disclosed
WO-2005066181-A1 PROCESS FOR THE PREPARATION OF 1,3-DIOXOLO [4,5-C] PIPERIDIN-7-OLS AND RELATED COMPOUNDS DELMAR CHEMICALS INC. (CA) 2005-07-21 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 (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-20050176752-A1 Process for the preparation of piperidine derivatives HPD, AZI2, DHPS CYP1A2 677/4885CYP2C9 802/4885CYP2C19 986/4885

“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.