SCHEMBL3422091

SCHEMBL3422091

CC1(CCCCCO)CCO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 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

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
SCHEMBL3418625 1.00 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL3419503 1.00 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL3417759 0.98 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL3417693 0.91
SCHEMBL11191149 0.83 CYP4F2 (0.40) CYP4F2CYP4A11
SCHEMBL11793252 0.82 CYP4F2 (0.36) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL3422565 0.81
SCHEMBL11183207 0.80 CYP4F2 (0.38) CYP4F2CYP4A11
1-Pentanol SCHEMBL27979326 0.76 SMN1; SMN2 (0.40) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL12059903 0.76 CYP4F2 (0.35) CYP4F2CYP4A11LMNAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243037-A1 Polysialic Acid-Polycaprolactone Micelles for Drug Delivery SYRACUSE UNIVERSITY (US) 2016-08-25 US disclosed
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 CYP4F2 4714/4885CYP4A11 3729/4885LMNA 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.