SCHEMBL548772

SCHEMBL548772

Cc1c(C23CC4CC(CC(C4)C2)C3)cc(C(C)C)c(OCC2CO2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TP53 P04637 3/20 0.33
TSHR P16473 3/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
SCN9A Q15858 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
SCHEMBL549965 0.91 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548968 0.91 TP53 (0.35) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549524 0.87 ALDH1A1 (0.37) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548826 0.87 ALDH1A1 (0.37) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549902 0.86 TP53 (0.35) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548847 0.85 ALDH1A1 (0.40) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549014 0.84 TP53 (0.35) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549008 0.83 TSHR (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549049 0.82 ALDH1A1 (0.37) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548674 0.81 ALDH1A1 (0.39) 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.