SCHEMBL6659880

SCHEMBL6659880

CCN1CCCC[C@@H]1OC=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL8282260 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6658247 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17898329 0.98 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6663326 0.94 ALDH1A1 (0.35) ALDH1A1
SCHEMBL17898320 0.94 ALDH1A1 (0.35) ALDH1A1
SCHEMBL27793814 0.76 MAPK1 (0.33) ALDH1A1
SCHEMBL28801681 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8282259 0.74
SCHEMBL12386353 0.73 F2 (0.34)
SCHEMBL27541668 0.72 ALDH1A1 (0.34) ALDH1A1

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
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
EP-1441728-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY Vertex Pharmaceuticals Incorporated (US) 2004-08-04 EP disclosed
US-20040034019-A1 Piperazine and piperidine derivatives VERTEX PHARMACEUTICALS INCORPORATED 2004-02-19 US disclosed
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway VERTEX PHARMACEUTICALS, INCORPORATED 2003-10-09 US disclosed
WO-2003037338-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-08 WO disclosed
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 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-20040034019-A1 Piperazine and piperidine derivatives GAP43, BDNF, NGF ALDH1A1 1047/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 ALDH1A1 2371/4885

“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.