SCHEMBL4378638

SCHEMBL4378638

CCCC1CCC(C2CCC(c3cc4cc(C)cc(F)c4o3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TLR4 O00206 1/20 0.32
PTGER1 P34995 1/20 0.30
CYP2C9 P11712 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
SCHEMBL13635336 0.69 GPR119 (0.35) TLR4
SCHEMBL17430790 0.69 CYP2C9 (0.42) TLR4CYP2C9
SCHEMBL12433696 0.69 HRH3 (0.33) TLR4
SCHEMBL4388855 0.68 TLR4 (0.32) TLR4CYP2C9
SCHEMBL4936791 0.68 CYP1B1 (0.43) CYP2C9
SCHEMBL8737129 0.67 CYP2C9 (0.43) TLR4CYP2C9
SCHEMBL7569241 0.67 CYP2C9 (0.43) TLR4CYP2C9
SCHEMBL2884363 0.67 CYP2C9 (0.43) TLR4CYP2C9
SCHEMBL3437358 0.67 CYP2C9 (0.43) TLR4CYP2C9
SCHEMBL11132031 0.67 OPRL1 (0.39) 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 6 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
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

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 MAOA 1975/4885MAOB 2061/4885TLR4 2032/4885

“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.