SCHEMBL5680004

SCHEMBL5680004

CC1(C)CCCC2(C)C1CCC(C)(O)C2CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
TRPA1 O75762 2/20 0.42
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PNLIP P16233 2/20 0.41
UGT2B7 P16662 5/20 0.41
IDO1 P14902 2/20 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
SCHEMBL5675292 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29394941 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2926420 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5676739 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8743228 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL23868612 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5675289 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14356925 0.88 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15494524 0.88 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12234283 0.88 ALDH1A1 (0.52) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019152-B2 Process for the optical resolution of a precursor of sclareolide FIRMENICH SA (CH) 2006-03-28 US claimed
EP-1527034-B1 A PROCESS FOR THE OPTICAL RESOLUTION OF A PRECURSOR OF SCLAREOLIDE FIRMENICH & CIE (CH) 2006-01-04 EP claimed
US-20040192960-A1 Process for the optical resolution of a precursor of sclareolide FIRMENICH SA (CH) 2004-09-30 US claimed
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
EP-0550889-A1 Process for producing L-Ambrox KURARAY CO., LTD. (JP) 1993-07-14 EP claimed
JP-5186388-A None JP disclosed
JP-5186452-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-20060223883-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 2006-10-05 US disclosed
CN-1277787-C Optical dividing method for sclare lactone precursor FOMENNISHE CO LTD (CH) 2006-10-04 CN disclosed
US-7019152-B2 Process for the optical resolution of a precursor of sclareolide FIRMENICH SA (CH) 2006-03-28 US disclosed
US-7019152-B2 Process for the optical resolution of a precursor of sclareolide FIRMENICH SA (CH) 2006-03-28 US 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
JP-H05186388-A METHOD FOR OPTICALLY RESOLVING (+-)-2,5,5,8A-TETRAMETHYL-1-(CARBOXYMETHYL)-2-HYDROXYDECALIN KURARAY CO LTD 1993-07-27 JP disclosed
JP-H05186452-A PRODUCTION OF L-AMBROX KURARAY CO LTD 1993-07-27 JP disclosed
EP-0550889-A1 Process for producing L-Ambrox KURARAY CO., LTD. (JP) 1993-07-14 EP disclosed
EP-0550889-A1 Process for producing L-Ambrox KURARAY CO., LTD. (JP) 1993-07-14 EP 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-20040192960-A1 Process for the optical resolution of a precursor of sclareolide LSS, CYP51A1, DHCR7 ALDH1A1 494/4885CYP3A4 450/4885CYP2C9 884/4885
US-20060223883-A1 Novel hydroxylated enantiomers of (-) 3a,6,6,9a-tetramethylperhydronaphtho[2,1-b]furan as perfuming agents derived from a fungal fermentation process. CYP51A1, HTR3A, CYP1B1 ALDH1A1 497/4885CYP3A4 103/4885CYP2C9 164/4885

“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.