SCHEMBL4135711

SCHEMBL4135711

OCC(CO)(CO)COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL4152881 0.89 NPSR1 (0.32) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL4136070 0.80 NPSR1 (0.34) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL2546508 0.75 NPSR1 (0.38) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL21010740 0.74 NPSR1 (0.39) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL13239942 0.72 CYP1A2 (0.35) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL4389248 0.71 ALDH1A1 (0.41) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL13447601 0.69 CYP1A2 (0.35) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4112445 0.68 SCN9A (0.33) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL2340118 0.68 ALDH1A1 (0.39) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL10145890 0.68 CYP2C19 (0.37) NPSR1MEN1ALDH1A1HTTKMT2A

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 NPSR1 2690/4885MEN1 3801/4885ALDH1A1 154/4885

“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.