SCHEMBL9924735

SCHEMBL9924735

CC1CCC2=CC(=O)CCC2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.42
CYP19A1 P11511 2/20 0.35
SERPINA6 P08185 2/20 0.33
SHBG P04278 2/20 0.33
MMP2 P08253 1/20 0.33
SLC22A1 O15245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
ESR2 Q92731 1/20 0.31
AR P10275 2/20 0.31
PGR P06401 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
SCHEMBL11757678 0.85 TLR4 (0.50) TLR4CYP19A1SERPINA6SHBGMMP2
SCHEMBL10975419 0.81
SCHEMBL21678057 0.78 TLR4 (0.34) TLR4CYP19A1
SCHEMBL440413 0.77 CYP19A1 (0.35) TLR4CYP19A1SERPINA6SHBGMMP2
SCHEMBL19257857 0.74 CYP2C19 (0.40) CYP19A1SERPINA6SHBGMMP2SLC22A1
SCHEMBL296381 0.74 TLR4 (0.35) TLR4CYP19A1
SCHEMBL5684775 0.74 TLR4 (0.47) TLR4CYP19A1SHBGALDH1A1AR
SCHEMBL18175548 0.74 CYP2C19 (0.40) CYP19A1SERPINA6SHBGMMP2SLC22A1
SCHEMBL10972979 0.72 HTR1A (0.44)
SCHEMBL11181948 0.71 TLR4 (0.47) TLR4CYP19A1SHBGMMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465674-B2 Decahydronaphthalene compound, liquid crystal composition including the compound and liquid crystal display device containing the liquid crystal composition JNC CORPORATION (JP) 2013-06-18 US disclosed
US-20120145959-A1 DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 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-20120145959-A1 DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION DCUN1D2, OCIAD1, CPNE4 TLR4 4459/4885CYP19A1 1181/4885SERPINA6 4500/4885

“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.