SCHEMBL6479731

SCHEMBL6479731

CC12CCC(C([O])=O)(OC1=O)C2(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
GAA P10253 3/20 0.59
ALOX12 P18054 1/20 0.56
HTT P42858 2/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
PTBP1 P26599 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL98457 0.85 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL15143001 0.85 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL6206953 0.85 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL223631 0.85 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL3192032 0.85 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL5575317 0.85 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL17816948 0.85 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL4124556 0.85 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL1308817 0.83 POLB (0.58) POLBGAAALOX12HTTKMT2A
SCHEMBL6714424 0.83 POLB (0.58) POLBGAAALOX12HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9169786-A None JP disclosed
US-6861530-B2 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-01 US disclosed
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
US-20020137770-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-26 US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 WO disclosed
JP-H09169786-A TERTIARY PHOSPHINE COMPOUND AND ITS USE FUJISAWA PHARMACEUT CO LTD 1997-06-30 JP disclosed
EP-0005749-A2 Derivatives of cyclohexene, process for their peparation, as well as their uses F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-12-12 EP 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-20020137770-A1 Piperidine derivatives CIP2A, PARP2, TP53 POLB 880/4885GAA 1594/4885ALOX12 4217/4885

“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.