SCHEMBL549543

SCHEMBL549543

CC(C)(C)c1cc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.34
CA1 P00915 2/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
HPN P05981 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
RARB P10826 6/20 0.33
RARA P10276 4/20 0.33
RARG P13631 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TYR P14679 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL549827 0.88 MEN1 (0.37) CA2CA1MEN1KMT2APOLB
SCHEMBL548713 0.88 MEN1 (0.36) MEN1KMT2APOLBMAPTALOX15
SCHEMBL549883 0.88 CA2 (0.36) CA2CA1MEN1KMT2APOLB
SCHEMBL27449603 0.85 CYP2C19 (0.38) CA2CA1MEN1KMT2APOLB
SCHEMBL549623 0.82 MEN1 (0.36) CA2CA1MEN1KMT2APOLB
SCHEMBL549584 0.82 MEN1 (0.36) CA2CA1MEN1KMT2APOLB
SCHEMBL27480262 0.81 POLB (0.41) CA2CA1MEN1KMT2APOLB
SCHEMBL548660 0.81 MEN1 (0.38) MEN1KMT2APOLBMAPTALOX15
SCHEMBL548806 0.79 MEN1 (0.34) MEN1KMT2APOLBMAPTALOX15
SCHEMBL548598 0.79 MEN1 (0.39) MEN1KMT2APOLBMAPTALOX15

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 CA2 1907/4885CA1 450/4885MEN1 3412/4885

“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.