SCHEMBL549591

SCHEMBL549591

CCCCCCc1c(O)cc(O)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5 P09917 5/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
ACE2 Q9BYF1 1/20 0.37
EPHX2 P34913 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL549783 0.83 ALOX5 (0.38) CYP19A1HTTALOX5ACE2EPHX2
SCHEMBL549731 0.80 EPHX2 (0.38) ALOX5ACE2EPHX2
SCHEMBL548925 0.75 MEN1 (0.52) NPC1HPGDMAPK1EPHX2MEN1
SCHEMBL27415560 0.74 TYR (0.52) HTTALOX5EPHX2MEN1POLB
SCHEMBL548588 0.74 MEN1 (0.39) NPC1HPGDMAPK1MEN1POLB
SCHEMBL547956 0.73 MEN1 (0.47) NPC1HPGDMAPK1EPHX2MEN1
SCHEMBL548873 0.73 ALOX5 (0.39) HTTALOX5ACE2EPHX2MEN1
SCHEMBL549767 0.71 MEN1 (0.44) NPC1HPGDMAPK1EPHX2MEN1
SCHEMBL549511 0.70 MEN1 (0.47) NPC1HPGDMAPK1EPHX2MEN1
SCHEMBL27544130 0.70 MEN1 (0.47) NPC1EPHX2MEN1POLBGAA

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 CYP19A1 3511/4885NPC1 2275/4885HPGD 736/4885

“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.