SCHEMBL96759

SCHEMBL96759

COC1CCC2CCCCC21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL7735453 0.90 KDM4E (0.38) APLNRALDH1A1KDM4E
SCHEMBL10825504 0.90 KDM4E (0.38) APLNRALDH1A1KDM4E
SCHEMBL14223298 0.90 APLNR (0.37) APLNR
SCHEMBL5696574 0.90 KDM4E (0.38) APLNRALDH1A1KDM4E
SCHEMBL96944 0.90 KDM4E (0.38) APLNRALDH1A1KDM4E
SCHEMBL96617 0.87 KDM4E (0.32) APLNRKDM4E
SCHEMBL96365 0.86 KDM4E (0.34) APLNRALDH1A1KDM4E
SCHEMBL22007037 0.86 KDM4E (0.34) APLNRALDH1A1KDM4E
SCHEMBL27551094 0.80 APLNR (0.34) APLNR
SCHEMBL96409 0.79 ALDH1A1 (0.35) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 APLNR 588/4885ALDH1A1 2193/4885KDM4E 1168/4885

“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.