SCHEMBL549599

SCHEMBL549599

Cc1cc(O)c(C23CC4CC(CC(C4)C2)C3)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
RARA P10276 4/20 0.44
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
RARB P10826 4/20 0.41
RARG P13631 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL549772 0.93 MEN1 (0.44) IKBKBMEN1KMT2APOLBGAA
SCHEMBL27448235 0.89 MEN1 (0.44) IKBKBMEN1KMT2APOLBGAA
SCHEMBL548700 0.86 MEN1 (0.52) IKBKBMEN1KMT2APOLBGAA
SCHEMBL1914338 0.84 IKBKB (0.43) IKBKBMEN1KMT2APOLBGAA
SCHEMBL549542 0.84 MEN1 (0.50) IKBKBMEN1KMT2APOLBGAA
SCHEMBL548836 0.84 MEN1 (0.53) IKBKBMEN1KMT2APOLBGAA
SCHEMBL27416248 0.82 LMNA (0.45) IKBKBMEN1KMT2APOLBGAA
SCHEMBL436182 0.81 MEN1 (0.41) IKBKBMEN1KMT2APOLBGAA
SCHEMBL3757835 0.80 MEN1 (0.55) IKBKBMEN1KMT2APOLBGAA
SCHEMBL548705 0.79 MEN1 (0.46) IKBKBMEN1KMT2APOLBGAA

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 IKBKB 4515/4885MEN1 3412/4885KMT2A 3737/4885

“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.