SCHEMBL4136773

SCHEMBL4136773

OCC(CO)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 4/20 0.32
ALOX15 P16050 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CYP19A1 P11511 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL4139817 0.88 PRKCA (0.39) PRKCAKMT2ANPSR1MEN1CYP2D6
SCHEMBL2546508 0.73 NPSR1 (0.38) PRKCAKMT2ANPSR1MEN1CYP2C19
SCHEMBL1776577 0.72 NPSR1 (0.31) NPSR1
SCHEMBL3451058 0.71 PRKCA (0.34) PRKCAKMT2AMEN1ALDH1A1
SCHEMBL3452469 0.70 PRKCA (0.33) PRKCA
SCHEMBL10324217 0.70 NPSR1 (0.40) KMT2ANPSR1ALDH1A1GRIN2DGRIN3B
SCHEMBL178446 0.69 NPSR1 (0.43) NPSR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL4136805 0.68 ALDH1A1 (0.38) PRKCAKMT2ANPSR1MEN1CYP2D6
SCHEMBL1864534 0.67 PRKCA (0.78) PRKCAKMT2ANPSR1MEN1ALDH1A1
SCHEMBL15051878 0.67 NPSR1 (0.38) KMT2ANPSR1ALDH1A1CYP19A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137774-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-05-28 US disclosed
EP-1930327-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-06-11 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-20090137774-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME GJA1, CDH1, OR10J3 PRKCA 3265/4885KMT2A 3147/4885NPSR1 2690/4885

“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.