SCHEMBL4802974

SCHEMBL4802974

C=COCC12CC3CC(CC(F)(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 1/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL3126327 0.87 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL31123487 0.82 MEN1 (0.35) MEN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL3126332 0.79 ALDH1A1 (0.40) SCN9AMEN1ALDH1A1KMT2AGRIN2D
SCHEMBL19929334 0.79 PKM (0.39) SCN9AMEN1ALDH1A1KMT2A
SCHEMBL919449 0.79 CA12 (0.42) MEN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL12869523 0.78 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL19929343 0.74 ALDH1A1 (0.51) MEN1ALDH1A1KMT2A
SCHEMBL4803060 0.74 MEN1 (0.37) MEN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL15535903 0.70 ALDH1A1 (0.45) SCN9AALDH1A1P2RX7GRIN2DGRIN3B
SCHEMBL21753438 0.70 GRIN2D (0.56) MEN1KMT2AP2RX7GRIN2DGRIN3B

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-7402712-B2 Adamantyl vinyl ether compound and production process for the same IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20050004391-A1 Adamantyl vinyl ether compound and production process for the same IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1486480-A1 Adamantyl vinyl ether compound and production process for the same Idemitsu Petrochemical Co., Ltd. (JP) 2004-12-15 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-20050004391-A1 Adamantyl vinyl ether compound and production process for the same NOTUM, CYP4A11, CYP4F11 SCN9A 2815/4885MEN1 1442/4885ALDH1A1 414/4885

“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.