SCHEMBL12417825

SCHEMBL12417825

CC(C)CCCc1ccc(C(C)C)o1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
LMNA P02545 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
SCHEMBL12394760 0.88 ALOX5 (0.35) ALOX5
SCHEMBL827337 0.82 ALOX5 (0.55) ALOX5
SCHEMBL16213682 0.74 NPC1 (0.36) ALOX5
SCHEMBL9967682 0.72 CHRM2 (0.37) ALOX5
SCHEMBL9967681 0.70 ALDH1A1 (0.43) ALOX5
SCHEMBL17929805 0.70 ALOX5 (0.30) ALOX5
SCHEMBL8224692 0.70 CYP2A6 (0.42) ALOX5
SCHEMBL31498244 0.69 HIF1A (0.49) ALOX5HIF1AEPAS1LMNA
SCHEMBL31498245 0.69 HIF1A (0.49) ALOX5HIF1AEPAS1LMNA
SCHEMBL14378129 0.69 ALDH1A1 (0.53) ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 US disclosed
US-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 US disclosed
WO-2009073432-A1 SUBSTITUTED CYCLOPENTANES HAVING PROSTAGLANDIN ACTIVITY ALLERGAN, INC. (US) 2009-06-11 WO 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-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES TUBB6, TUBB3, TUBB2A ALOX5 36/4885FNTA 181/4885PGGT1B 436/4885

“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.