SCHEMBL548945

SCHEMBL548945

CCCCCCc1c(C23CC4CC(CC(C4)C2)C3)cc(OCC2CO2)c(C23CC4CC(CC(C4)C2)C3)c1OCC1CO1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CNR2 P34972 2/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD11B1 P28845 1/20 0.30
FAAH O00519 1/20 0.30
CNR1 P21554 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
SCHEMBL548776 0.86 ALDH1A1 (0.37) ALDH1A1GLATDP1PPARGPPARD
SCHEMBL550093 0.83 ALDH1A1 (0.37) ALDH1A1GLATDP1SMN1; SMN2HSD11B1
SCHEMBL548880 0.81 ALDH1A1 (0.38) ALDH1A1GLATDP1PPARGTP53
SCHEMBL548813 0.81 ALDH1A1 (0.34) ALDH1A1TDP1PPARGPPARDPPARA
SCHEMBL548868 0.81 ALDH1A1 (0.38) ALDH1A1GLATDP1PPARGTP53
SCHEMBL548666 0.81 ALDH1A1 (0.38) ALDH1A1GLATDP1PPARGTP53
SCHEMBL548993 0.80 ALDH1A1 (0.40) ALDH1A1GLATDP1PPARGTP53
SCHEMBL549862 0.80 ALDH1A1 (0.43) ALDH1A1GLATDP1PPARGTP53
SCHEMBL549863 0.80 ALDH1A1 (0.39) ALDH1A1GLATDP1PPARGTP53
SCHEMBL549759 0.79 ALDH1A1 (0.42) ALDH1A1GLATDP1PPARGTP53

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 312/4885GLA 1474/4885TDP1 2183/4885

“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.