SCHEMBL96412

SCHEMBL96412

COC1CCC2CCCC2C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL96511 0.95 ALDH1A1 (0.40) ALDH1A1
SCHEMBL96930 0.92
SCHEMBL12442019 0.88 ALDH1A1 (0.38) ALDH1A1DPP4DPP7
SCHEMBL15680819 0.87 ALDH1A1 (0.32) ALDH1A1DPP4DPP7
SCHEMBL14997481 0.87
SCHEMBL96763 0.84
SCHEMBL19263932 0.84 ALDH1A1 (0.37) ALDH1A1DPP4DPP7
SCHEMBL28024899 0.82
SCHEMBL96773 0.81 ALDH1A1 (0.39) ALDH1A1DPP4
SCHEMBL16512808 0.81 ALDH1A1 (0.39) ALDH1A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
EP-3150590-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2017-04-05 EP disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 WO disclosed
US-20120059008-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA, INC. (US) 2012-03-08 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-20120059008-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A ALDH1A1 2193/4885DPP4 2835/4885DPP7 2318/4885

“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.