SCHEMBL549203

SCHEMBL549203

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.35
IKBKB O14920 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
RARB P10826 4/20 0.32
RARG P13631 3/20 0.32
EPHX2 P34913 1/20 0.32
NPC1 O15118 1/20 0.31
CNR2 P34972 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL548834 0.90 RARA (0.34) RARAIKBKBMEN1KMT2APOLB
SCHEMBL549744 0.84 MEN1 (0.39) RARAIKBKBMEN1KMT2APOLB
SCHEMBL548531 0.84 MEN1 (0.39) RARAIKBKBMEN1KMT2APOLB
SCHEMBL548759 0.83 MEN1 (0.38) RARAIKBKBMEN1KMT2APOLB
SCHEMBL549608 0.81 MEN1 (0.39) RARAIKBKBMEN1KMT2APOLB
SCHEMBL549740 0.80 MEN1 (0.43) RARAIKBKBMEN1KMT2APOLB
SCHEMBL549825 0.80 MEN1 (0.39) RARAIKBKBMEN1KMT2APOLB
SCHEMBL548383 0.80 MEN1 (0.39) RARAIKBKBMEN1KMT2APOLB
SCHEMBL548795 0.80 MEN1 (0.36) RARAIKBKBMEN1KMT2APOLB
SCHEMBL549545 0.80 MEN1 (0.38) RARAIKBKBMEN1KMT2APOLB

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 RARA 1246/4885IKBKB 4515/4885MEN1 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.