SCHEMBL296381

SCHEMBL296381

CC(C)(C)CC1CCC2=CC(=O)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.35
CYP19A1 P11511 2/20 0.31
PLG P00747 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
SCHEMBL5684775 0.81 TLR4 (0.47) TLR4CYP19A1
SCHEMBL296715 0.78
SCHEMBL11150893 0.76 TLR4 (0.35) TLR4
SCHEMBL11062755 0.76 CYP1A2 (0.38) TLR4CYP19A1
SCHEMBL21678057 0.74 TLR4 (0.34) TLR4CYP19A1
SCHEMBL10975419 0.74
SCHEMBL9924735 0.74 TLR4 (0.42) TLR4CYP19A1
SCHEMBL6157017 0.72 TLR4 (0.64) TLR4CYP19A1
SCHEMBL6453415 0.72 TLR4 (0.64) TLR4CYP19A1
SCHEMBL6453405 0.72 TLR4 (0.64) TLR4CYP19A1

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
EP-1979301-B1 PERFUMING INGREDIENTS WITH ODOR OF THE PHEROMONE TYPE FIRMENICH & CIE (CH) 2012-03-14 EP disclosed
US-7618934-B2 Perfuming ingredients with odor of the pheromone type FIRMENICH SA (CH) 2009-11-17 US disclosed
US-20080280809-A1 Perfuming Ingredients with Odor of the Pheromone Type FIRMENICH SA, PPON 2008-11-13 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-20080280809-A1 Perfuming Ingredients with Odor of the Pheromone Type DBN1, PTAR1, FDFT1 TLR4 3259/4885CYP19A1 957/4885PLG 1031/4885

“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.