SCHEMBL3417469

SCHEMBL3417469

CCC1(COC=C(CC23CC4CC(CC(C4)C2)C3)C(=O)O)COC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD11B1 P28845 1/20 0.33
EPHX2 P34913 1/20 0.33
P2RX7 Q99572 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL3419657 0.91 MEN1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3416475 0.89 EPHX2 (0.38) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3419062 0.88 MEN1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3418975 0.86 MEN1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3418747 0.85 MEN1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3420033 0.85 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3419925 0.84 EPHX2 (0.36) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3421637 0.84 EPHX2 (0.36) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3419498 0.84 EPHX2 (0.36) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3422475 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT IDEMITSU KOSAN CO., LTD. (JP) 2010-05-27 US 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-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT ARCN1, APP, ADAM17 ALDH1A1 125/4885MEN1 3560/4885KMT2A 2786/4885

“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.