SCHEMBL3420033

SCHEMBL3420033

CC1(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
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33
P2RX7 Q99572 2/20 0.33
BPTF Q12830 1/20 0.33
HSD11B1 P28845 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL3418673 0.88 MEN1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3417853 0.85 MEN1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3417469 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3414577 0.84 EPHX2 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3419161 0.83 EPHX2 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3419605 0.83 EPHX2 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3419209 0.83 EPHX2 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3419657 0.83 MEN1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3416475 0.81 EPHX2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3420149 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1

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 125/4885SMN1; SMN2 963/4885MEN1 3560/4885

“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.