SCHEMBL1105236

SCHEMBL1105236

CC1=C(CC/C(C)=C/CC(=O)N(C)C)C(C)(C)CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.54
RARG P13631 6/20 0.54
RARA P10276 5/20 0.54
RXRA P19793 5/20 0.54
ALOX15 P16050 3/20 0.49
ALOX5 P09917 1/20 0.49
TRPA1 O75762 3/20 0.48
ALDH1A1 P00352 8/20 0.44
MAPT P10636 8/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
POLK Q9UBT6 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
BLM P54132 3/20 0.42
CYP3A4 P08684 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL24475285 0.87 RARB (0.58) RARBRARGRARARXRAALOX15
SCHEMBL9202781 0.86 RARB (0.60) RARBRARGRARARXRAALOX15
SCHEMBL703376 0.86 RARB (0.60) RARBRARGRARARXRAALOX15
SCHEMBL703377 0.86 RARB (0.60) RARBRARGRARARXRAALOX15
SCHEMBL13554229 0.84 RARB (0.56) RARBRARGRARARXRAALOX15
SCHEMBL16670830 0.84 RARB (0.56) RARBRARGRARARXRAALOX15
SCHEMBL10044151 0.82 RARB (0.54) RARBRARGRARARXRAALOX15
SCHEMBL18084341 0.82 RARB (0.54) RARBRARGRARARXRAALOX15
SCHEMBL24228266 0.81 ALOX15 (0.57) RARBRARGRARARXRAALOX15
SCHEMBL20839001 0.81 ALOX5 (0.60) RARBRARGRARARXRAALOX15

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-8153826-B2 Process for production of (±)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]Furan-2(1H)-one KAO CORPORATION (JP) 2012-04-10 US disclosed
US-20090270639-A1 PROCESS FOR PRODUCTION OF (±)-3A,6,6,9A- TETRAMETHYLDECAHYDRONAPHTHO[2,1-B]FURAN-2(1H)-ONE KAO CORPORATION (JP) 2009-10-29 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-20090270639-A1 PROCESS FOR PRODUCTION OF (±)-3A,6,6,9A- TETRAMETHYLDECAHYDRONAPHTHO[2,1-B]FURAN-2(1H)-ONE COASY, FASN, CYP2C9 RARB 661/4885RARG 1183/4885RARA 741/4885

“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.