SCHEMBL549925

SCHEMBL549925

C=C(C)C(=O)OCC12CC3CC(CC(C3)C1CO)C2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 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
SCHEMBL22092116 0.91 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20920211 0.89 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL20920212 0.83 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL550030 0.76 MEN1 (0.34) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL20349638 0.76 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL3797993 0.76 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL75495 0.75 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL10179724 0.75 MEN1 (0.33) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL14632832 0.74 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL10179985 0.73 MEN1 (0.32) ALDH1A1TSHRMEN1KMT2AL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9109072-B2 Curable composition and uses thereof SHOWA DENKO K.K. (JP) 2015-08-18 US disclosed
US-20140378571-A1 CURABLE COMPOSITION AND USES THEREOF SHOWA DENKO K.K. (JP) 2014-12-25 US disclosed
EP-2813521-A1 CURABLE COMPOSITION AND APPLICATION THEREFOR Showa Denko K.K. (JP) 2014-12-17 EP disclosed
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 ALDH1A1 312/4885TSHR 4644/4885MEN1 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.