SCHEMBL550064

SCHEMBL550064

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TP53 P04637 3/20 0.40
TSHR P16473 3/20 0.40
HIF1A Q16665 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
GLA P06280 1/20 0.35
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL549650 0.91 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL549986 0.90 ALDH1A1 (0.39) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL549936 0.89 TDP1 (0.42) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL548529 0.88 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL548886 0.88 ALDH1A1 (0.45) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL548866 0.88 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL548675 0.87 ALDH1A1 (0.39) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL549002 0.87 ALDH1A1 (0.39) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL548674 0.87 ALDH1A1 (0.39) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL548868 0.86 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ASMN1; SMN2

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.