SCHEMBL549595

SCHEMBL549595

CC(Oc1ccc(OC(C)C2CO2)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2)C1CO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
EPHX2 P34913 2/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HDAC11 Q96DB2 1/20 0.31
PKM P14618 1/20 0.30
CNR2 P34972 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL548894 0.93 HDAC11 (0.32) IDO1TDO2LMNAMEN1KMT2A
SCHEMBL549636 0.92 EPHX2 (0.30) IDO1TDO2EPHX2
SCHEMBL548959 0.90 MEN1 (0.31) IDO1TDO2MEN1KMT2A
SCHEMBL548991 0.88 IDO1 (0.32) IDO1TDO2MEN1KMT2AHDAC11
SCHEMBL548649 0.88 CNR2 (0.31) HDAC11CNR2
SCHEMBL549919 0.85 IDO1 (0.32) IDO1TDO2MEN1KMT2AHDAC11
SCHEMBL549953 0.85 HDAC11 (0.30) HDAC11
SCHEMBL548687 0.84 MEN1 (0.33) EPHX2NPC1LMNAALDH1A1MEN1
SCHEMBL549675 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL549007 0.82 HDAC11 (0.37) IDO1TDO2LMNAMEN1KMT2A

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 IDO1 4291/4885TDO2 3401/4885EPHX2 238/4885

“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.