SCHEMBL1105221

SCHEMBL1105221

CC(=O)CC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
FNTA P49354 3/20 0.61
FNTB P49356 3/20 0.61
ALOX15 P16050 3/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
CYP3A4 P08684 2/20 0.59
ALDH1A1 P00352 2/20 0.59
UGT1A1 P22309 1/20 0.59
POLB P06746 1/20 0.59
SQLE Q14534 3/20 0.57
KDM4E B2RXH2 2/20 0.55
ATM Q13315 1/20 0.55

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
Geranylacetol SCHEMBL30563824 0.98 KMT2A (0.62) KMT2AFNTAFNTBALOX15MAPT
SCHEMBL14252442 0.88 KMT2A (0.61) KMT2AFNTAFNTBALOX15MAPT
SCHEMBL14252496 0.88 KMT2A (0.61) KMT2AFNTAFNTBALOX15MAPT
SCHEMBL3111482 0.86 KMT2A (0.73) KMT2AFNTAFNTBALOX15MAPT
SCHEMBL112856 0.86 KMT2A (0.73) KMT2AFNTAFNTBALOX15MAPT
SCHEMBL7934894 0.86 KMT2A (0.73) KMT2AFNTAFNTBALOX15MAPT
SCHEMBL14236831 0.86 KMT2A (0.73) KMT2AFNTAFNTBALOX15MAPT
SCHEMBL157509 0.86 KMT2A (0.73) KMT2AFNTAFNTBALOX15MAPT
SCHEMBL7946216 0.86 KMT2A (0.73) KMT2AFNTAFNTBALOX15MAPT
Farnesylacetol SCHEMBL157419 0.86 KMT2A (0.73) KMT2AFNTAFNTBALOX15MAPT

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 KMT2A 3960/4885FNTA 1081/4885FNTB 438/4885

“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.