SCHEMBL550013

SCHEMBL550013

CC(C)(C)c1cc(OCC2CO2)c(OCC2CO2)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
TP53 P04637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
VDR P11473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL548828 0.90 TSHR (0.39) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL549680 0.88 TSHR (0.37) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL548712 0.86 ALDH1A1 (0.41) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL549806 0.85 ALDH1A1 (0.42) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL549664 0.84 TSHR (0.38) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL549906 0.84 ALDH1A1 (0.43) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL549633 0.84 TSHR (0.36) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL549052 0.83 TSHR (0.37) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL549701 0.83 TSHR (0.37) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL548932 0.83 ALDH1A1 (0.38) TSHRTP53ALDH1A1MAPTHPGD

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 TSHR 4644/4885TP53 4498/4885ALDH1A1 312/4885

“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.