SCHEMBL3414474

SCHEMBL3414474

CCC1(CCCCO)COC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL3421670 0.98 EPHX1 (0.38) EPHX1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL3422314 0.98 EPHX1 (0.38) EPHX1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL3417847 0.98 EPHX1 (0.38) EPHX1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL3200589 0.93 EPHX1 (0.41) EPHX1SMN1; SMN2ALDH1A1
SCHEMBL1261448 0.86 EPHX1 (0.35) EPHX1
SCHEMBL29010354 0.86 EPHX1 (0.35) EPHX1
SCHEMBL3420555 0.85 SMN1; SMN2 (0.39) EPHX1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL3416478 0.85 SMN1; SMN2 (0.44) EPHX1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL617694 0.84
SCHEMBL5850277 0.84 EPHX1 (0.36) EPHX1

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 EPHX1 55/4885SMN1; SMN2 963/4885LMNA 805/4885

“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.