SCHEMBL548937

SCHEMBL548937

C1C2CC3CC1CC(c1c(OCC4CO4)c(C45CC6CC(CC(C6)C4)C5)c(C45CC6CC(CC(C6)C4)C5)c(OCC4CO4)c1C14CC5CC(CC(C5)C1)C4)(C2)C3

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 5/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
GLA P06280 1/20 0.35
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 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
SCHEMBL548882 0.98 TSHR (0.40) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548891 0.97 TSHR (0.39) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548906 0.97 TSHR (0.39) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548858 0.95 TSHR (0.40) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL550106 0.93 TSHR (0.39) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548797 0.92 ALDH1A1 (0.37) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL549870 0.91 ALDH1A1 (0.36) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL549820 0.91 ALDH1A1 (0.36) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548740 0.89 ALDH1A1 (0.36) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL549970 0.89 TSHR (0.34) ALDH1A1TSHRTP53HIF1ASMN1; 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 312/4885TSHR 4644/4885TP53 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.