SCHEMBL548904

SCHEMBL548904

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
HIF1A Q16665 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPARG P37231 1/20 0.33
GLA P06280 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL549928 0.93 MEN1 (0.33) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL549840 0.90 ALDH1A1 (0.32) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL548937 0.88 ALDH1A1 (0.41) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL549757 0.87 ALDH1A1 (0.32) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL548882 0.87 TSHR (0.40) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL548906 0.85 TSHR (0.39) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL548891 0.85 TSHR (0.39) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL548797 0.84 ALDH1A1 (0.37) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL548858 0.84 TSHR (0.40) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL549870 0.83 ALDH1A1 (0.36) MEN1KMT2ATP53TSHRALDH1A1

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 MEN1 3412/4885KMT2A 3737/4885TP53 4498/4885

“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.