SCHEMBL96944

SCHEMBL96944

COC1CCCC2CCCCC21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 5/20 0.35
APLNR P35414 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10825504 1.00 KDM4E (0.38) KDM4EALDH1A1APLNRLMNAHTT
SCHEMBL7735453 1.00 KDM4E (0.38) KDM4EALDH1A1APLNRLMNAHTT
SCHEMBL22007037 0.97 KDM4E (0.34) KDM4EALDH1A1APLNR
SCHEMBL96365 0.97 KDM4E (0.34) KDM4EALDH1A1APLNR
SCHEMBL5696574 0.95 KDM4E (0.38) KDM4EALDH1A1APLNRLMNAHTT
SCHEMBL96617 0.92 KDM4E (0.32) KDM4EAPLNR
SCHEMBL96759 0.90 APLNR (0.37) KDM4EALDH1A1APLNR
SCHEMBL14223298 0.90 APLNR (0.37) APLNR
SCHEMBL25487367 0.83 KDM4E (0.43) KDM4EALDH1A1APLNRLMNAHTT
SCHEMBL15494142 0.83 KDM4E (0.38) KDM4EALDH1A1APLNRLMNAHTT

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
JP-61204178-A None JP 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
JP-S61204178-A TRANS-DECALIN DERIVATIVE AND PRODUCTION THEREOF YAMASA SHOYU CO LTD 1986-09-10 JP 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 KDM4E 1168/4885ALDH1A1 2193/4885APLNR 588/4885

“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.