SCHEMBL294690

SCHEMBL294690

CC(=O)C(C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.34
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GFER P55789 2/20 0.31
RAB9A P51151 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
SCHEMBL294692 1.00 TLR4 (0.34) TLR4PTGS1PTGS2OPRK1HTT
SCHEMBL294691 1.00 TLR4 (0.34) TLR4PTGS1PTGS2OPRK1HTT
SCHEMBL6903785 0.76 CES2 (0.32) TLR4RAB9A
SCHEMBL14563381 0.73 PTGS2 (0.48) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL24340460 0.72 NPC1 (0.34) TLR4KDM4ERAB9A
SCHEMBL26615266 0.72 NPC1 (0.34) TLR4KDM4ERAB9A
SCHEMBL10562202 0.72 BRD4 (0.35) TLR4KDM4E
SCHEMBL2993114 0.71 ALDH1A1 (0.49) KMT2AKDM4ERAB9A
SCHEMBL26760210 0.70 SMN1; SMN2 (0.34) KDM4ERAB9A
SCHEMBL6652483 0.70 CCR6 (0.34)

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 5 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
EP-1979301-A1 PERFUMING INGREDIENTS WITH ODOR OF THE PHEROMONE TYPE FIRMENICH SA (CH) 2008-10-15 EP disclosed
WO-2007085984-A1 PERFUMING INGREDIENTS WITH ODOR OF THE PHEROMONE TYPE FIRMENICH SA (CH) 2007-08-02 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-20080280809-A1 Perfuming Ingredients with Odor of the Pheromone Type DBN1, PTAR1, FDFT1 TLR4 3259/4885PTGS1 2147/4885PTGS2 2123/4885

“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.