SCHEMBL550093

SCHEMBL550093

CCCCCCc1c(OCC2CO2)c(C23CC4CC(CC(C4)C2)C3)c(OCC2CO2)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 1/20 0.30
GLA P06280 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
SCHEMBL548945 0.83 ALDH1A1 (0.34) ALDH1A1TDP1HSD11B1SMN1; SMN2GLA
SCHEMBL548776 0.83 ALDH1A1 (0.37) ALDH1A1TDP1HSD11B1SMN1; SMN2ENPP2
SCHEMBL549970 0.82 TSHR (0.34) ALDH1A1TDP1HSD11B1SMN1; SMN2GLA
SCHEMBL548891 0.81 TSHR (0.39) ALDH1A1TDP1SMN1; SMN2GLA
SCHEMBL548906 0.81 TSHR (0.39) ALDH1A1TDP1SMN1; SMN2GLA
SCHEMBL548937 0.81 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2GLA
SCHEMBL548813 0.80 ALDH1A1 (0.34) ALDH1A1TDP1SMN1; SMN2ENPP2
SCHEMBL548797 0.80 ALDH1A1 (0.37) ALDH1A1TDP1SMN1; SMN2GLA
SCHEMBL548882 0.79 TSHR (0.40) ALDH1A1TDP1SMN1; SMN2GLA
SCHEMBL549870 0.79 ALDH1A1 (0.36) ALDH1A1TDP1SMN1; SMN2GLA

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
US-8110614-B2 Adamantane derivative, method for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO., LTD. (JP) 2012-02-07 US disclosed
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
EP-2090563-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2009-08-19 EP 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-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE ARCN1, RTN3, CHRNA3 ALDH1A1 312/4885TDP1 2183/4885HSD11B1 3088/4885

“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.