SCHEMBL6399115

SCHEMBL6399115

OCCc1ccc2c(c1)CCC1(C2)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35
PDK2 Q15119 1/20 0.31
CA2 P00918 1/20 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
SCHEMBL30583476 0.82 GRIN2B (0.34)
SCHEMBL6399212 0.80 AKR1B1 (0.41) KDM4EALDH1A1GAAMAPTCA2
SCHEMBL4818565 0.78 KDM4E (0.36) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL4893807 0.76 ESR2 (0.39)
SCHEMBL18998250 0.73 ADRA2A (0.40) KDM4EALDH1A1GAAMAPTBACE1
SCHEMBL3990720 0.73 APP (0.40) ALDH1A1BACE1
SCHEMBL12465068 0.72 NPC1 (0.36) ALDH1A1MAPT
SCHEMBL8853672 0.71 ALDH1A1 (0.48) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL6687949 0.70 SIGMAR1 (0.40) KDM4EALDH1A1BACE1
SCHEMBL7998432 0.70 ALDH1A1 (0.47) KDM4EALDH1A1ALOX5GAAMAPT

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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia CHRM1, CHRM2, CHRM5 KDM4E 879/4885ALDH1A1 788/4885ALOX5 3666/4885

“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.