SCHEMBL549863

SCHEMBL549863

c1c(OCC2CO2)c(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c(OCC2CO2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL548868 0.93 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL550010 0.93 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548666 0.91 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548932 0.91 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549650 0.90 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548993 0.90 ALDH1A1 (0.40) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549935 0.90 ALDH1A1 (0.40) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548712 0.89 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548915 0.89 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548897 0.88 TSHR (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4

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 312/4885TP53 4498/4885TSHR 4644/4885

“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.