SCHEMBL549882

SCHEMBL549882

Cc1cc(C(C)(C)C)c(O)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
CA2 P00918 4/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TYR P14679 1/20 0.39
CA1 P00915 2/20 0.36
MAPT P10636 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HPN P05981 1/20 0.36
ALOX15 P16050 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
PTGS2 P35354 2/20 0.34

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
SCHEMBL27449603 0.88 CYP2C19 (0.38) CYP2C19CYP2C9CYP1A2CA2POLB
SCHEMBL548780 0.87 CA2 (0.38) CYP2C19CYP2C9CYP1A2CA2POLB
SCHEMBL549883 0.84 CA2 (0.36) CYP2C19CYP2C9CYP1A2CA2POLB
SCHEMBL549698 0.82 MEN1 (0.41) CA2POLBALDH1A1CA1MAPT
SCHEMBL548567 0.80 MEN1 (0.43) POLBALDH1A1MAPTGAAMEN1
SCHEMBL549815 0.79 POLB (0.40) CYP2C19CYP2C9CYP1A2CA2POLB
SCHEMBL549608 0.79 MEN1 (0.39) POLBSMN1; SMN2ALDH1A1MAPTALOX15
SCHEMBL549623 0.78 MEN1 (0.36) CYP1A2CA2POLBSMN1; SMN2ALDH1A1
SCHEMBL549740 0.78 MEN1 (0.43) POLBALDH1A1MAPTGAAMEN1
SCHEMBL27418463 0.77 POLB (0.47) CA2POLBSMN1; SMN2ALDH1A1TYR

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 CYP2C19 2108/4885CYP2C9 2008/4885CYP1A2 505/4885

“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.