SCHEMBL1096342

SCHEMBL1096342

CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)OC(=O)C[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
TSHR P16473 1/20 1.00
CYP2C19 P33261 1/20 1.00
ENTPD5 O75356 1/20 0.54
RPS6KA5 O75582 3/20 0.46
MAPKAPK2 P49137 3/20 0.46
LTB4R Q15722 1/20 0.46
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
NR1H4 Q96RI1 3/20 0.40
PTPN1 P18031 4/20 0.40
HIF1A Q16665 3/20 0.40
EPAS1 Q99814 3/20 0.40
IDO1 P14902 1/20 0.39
PIK3CB P42338 1/20 0.38

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
SCHEMBL17030368 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9289576 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6251885 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12794189 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9572259 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13206588 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL18256420 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3322341 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL83395 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13223919 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550889-B1 Process for producing L-Ambrox KURARAY CO (JP) 1996-09-18 EP claimed
US-5290955-A Process for producing L-ambrox KURARAY CO., LTD. (JP) 1994-03-01 US claimed
JP-57145869-A None JP disclosed
US-20120301956-A1 Novel hydroxylated enantiomers of (-) 3a,6,6,9a-tetramethylperhydronaphtho[2,1-b]furan as perfuming agents derived from a fungal fermentation process RAHMAN ATTAUR (PK) 2012-11-29 US disclosed
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
US-7019152-B2 Process for the optical resolution of a precursor of sclareolide FIRMENICH SA (CH) 2006-03-28 US disclosed
EP-1527034-B1 A PROCESS FOR THE OPTICAL RESOLUTION OF A PRECURSOR OF SCLAREOLIDE FIRMENICH & CIE (CH) 2006-01-04 EP disclosed
US-20040192960-A1 Process for the optical resolution of a precursor of sclareolide FIRMENICH SA (CH) 2004-09-30 US disclosed
EP-0550889-B1 Process for producing L-Ambrox KURARAY CO (JP) 1996-09-18 EP disclosed
US-5347048-A Process for producing (±)-2,5,5,8a-tetramethyl-1-(carboxymethyl)-2-hydroxydecalin KURARAY CO., LTD. (JP) 1994-09-13 US disclosed
US-5290955-A Process for producing L-ambrox KURARAY CO., LTD. (JP) 1994-03-01 US disclosed
US-5290955-A Process for producing L-ambrox KURARAY CO., LTD. (JP) 1994-03-01 US disclosed
EP-0165458-A2 (+)-Ambrox, process for production thereof and use thereof T. HASEGAWA COMPANY, LTD. (JP) 1985-12-27 EP disclosed
JP-S57145869-A PREPARATION OF D,L-NORAMBRENOLIDE JAPAN TOBACCO INC 1982-09-09 JP 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 (2 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 ALDH1A1 219/4885CYP3A4 38/4885CYP2C9 3/4885
US-20040192960-A1 Process for the optical resolution of a precursor of sclareolide LSS, CYP51A1, DHCR7 ALDH1A1 494/4885CYP3A4 450/4885CYP2C9 884/4885

“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.