SCHEMBL4139817

SCHEMBL4139817

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4136773 0.88 PRKCA (0.43) PRKCANPSR1KMT2AMEN1CYP2D6
SCHEMBL2546508 0.68 NPSR1 (0.38) PRKCANPSR1KMT2AMEN1CYP2C19
SCHEMBL1776577 0.67 NPSR1 (0.31) NPSR1
SCHEMBL4136815 0.65 KMT2A (0.43) PRKCAKMT2AMEN1CYP2D6CYP2C19
SCHEMBL4389248 0.64 ALDH1A1 (0.41) NPSR1KMT2AMEN1CYP2C19
SCHEMBL10324217 0.64 NPSR1 (0.40) NPSR1KMT2A
SCHEMBL6346242 0.64 SLC22A2 (0.39) KMT2AMEN1CYP2D6CYP2C19
SCHEMBL28805971 0.63 EPHX2 (0.37) NPSR1
SCHEMBL178446 0.63 NPSR1 (0.43) NPSR1
SCHEMBL4136805 0.63 ALDH1A1 (0.38) PRKCANPSR1KMT2AMEN1CYP2D6

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 3265/4885NPSR1 2690/4885KMT2A 3147/4885

“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.