SCHEMBL3419161

SCHEMBL3419161

CC1(CCCCCCCOC=C(CC23CC4CC(CC(C4)C2)C3)C(=O)O)COC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.30
TSHR P16473 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
SCHEMBL3419605 1.00 EPHX2 (0.35) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3419209 1.00 EPHX2 (0.35) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3414577 0.99 EPHX2 (0.34) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3417853 0.95 MEN1 (0.34) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3418673 0.91 MEN1 (0.36) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3419498 0.87 EPHX2 (0.36) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3419925 0.87 EPHX2 (0.36) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3421637 0.87 EPHX2 (0.36) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3418690 0.86 EPHX2 (0.38) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL3414590 0.86 EPHX2 (0.36) EPHX2MEN1KMT2AALDH1A1MAPT

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 EPHX2 275/4885MEN1 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.