SCHEMBL549585

SCHEMBL549585

CC(C)(C)c1cc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
ATP2A2 P16615 1/20 0.47
ATP2A3 Q93084 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
TP53 P04637 3/20 0.37
CYP3A4 P08684 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
RARB P10826 4/20 0.37
RARA P10276 3/20 0.37
RARG P13631 3/20 0.37

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
SCHEMBL549741 0.88 MEN1 (0.41) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL549752 0.81 MEN1 (0.59) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL549883 0.79 CA2 (0.36) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL549584 0.79 MEN1 (0.36) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL549623 0.79 MEN1 (0.36) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL549542 0.77 MEN1 (0.50) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL548836 0.77 MEN1 (0.53) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL27430296 0.77 MEN1 (0.65) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL548705 0.77 MEN1 (0.46) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL549543 0.76 CA2 (0.34) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E

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 ALOX15 771/4885ALDH1A1 312/4885SMN1; SMN2 2092/4885

“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.