SCHEMBL4376867

SCHEMBL4376867

CCCC1CCC(C2CCC(/C=C/C=O)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.35
CYP2C9 P11712 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
SCHEMBL4376870 1.00 TLR4 (0.35) TLR4CYP2C9
SCHEMBL7858209 0.94 CYP2C9 (0.36) CYP2C9
SCHEMBL7858208 0.94 CYP2C9 (0.36) CYP2C9
SCHEMBL7858210 0.94 CYP2C9 (0.36) CYP2C9
SCHEMBL8456171 0.85 TRPA1 (0.33)
SCHEMBL8456162 0.85 TRPA1 (0.33)
SCHEMBL8456158 0.85 TRPA1 (0.33)
SCHEMBL8456167 0.85 TRPA1 (0.33)
SCHEMBL8835243 0.82 TLR4 (0.32) TLR4CYP2C9
SCHEMBL8835249 0.82 TLR4 (0.32) TLR4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409441-B1 INDANE COMPOUNDS WITH NEGATIVE DIELECTRIC ANISOTROPY MERCK PATENT GMBH (DE) 2009-11-18 EP disclosed
US-7122228-B2 Transistros; liquid crystals display; electrooptics MERCK PATENT GMBH (DE) 2006-10-17 US disclosed
US-20040171866-A1 Transistros; liquid crystals display; electrooptics MERCK PATENTGESELLSCHAFT (DE) 2004-09-02 US disclosed
EP-1409441-A1 INDANE COMPOUNDS WITH NEGATIVE DIELECTRIC ANISOTROPY MERCK PATENT GmbH (DE) 2004-04-21 EP disclosed
WO-2003010120-A1 INDANE COMPOUNDS WITH NEGATIVE DIELECTRIC ANISOTROPY MERCK PATENT GMBH (DE) 2003-02-06 WO disclosed
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
US-5609791-A Diene derivative CHISSO CORPORATION (JP) 1997-03-11 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed
US-5449810-A Diene derivative CHISSO CORPORATION (JP) 1995-09-12 US disclosed
EP-0563982-A2 Polycyclic diene derivatives Chisso Corporation (JP) 1993-10-06 EP 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-20040171866-A1 Transistros; liquid crystals display; electrooptics VCL, RIF1, IPO11 TLR4 2032/4885CYP2C9 3187/4885

“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.