SCHEMBL2926420

SCHEMBL2926420

CC1(C)CCC[C@]2(C)[C@@H](CC(=O)O)[C@](C)(O)CC[C@@H]12

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
SCHEMBL5680004 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636126-B1 PROCESS FOR PRODUCING SCLAREOLIDE HENKEL KGAA (DE) 1997-01-08 EP claimed
US-5525728-A OXIDIZING AN AQUEOUS ALKALINE SOLUTION COMPRISING SCLAROL AND/OR ABIENOL, A RUTHENIUM CATALYST WITH AN OXIDIZING AGENT, SALT FORMATION WITH A BASE, THEN DESALTING WITH AN ACID HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-06-11 US claimed
EP-1773799-B1 PROCESS FOR THE PREPARATION OF OPTICALLY-ACTIVE COMPOUNDS GIVAUDAN SA (CH) 2010-09-08 EP disclosed
US-7683190-B2 Process for the preparation of optically-active compounds GIVAUDAN SA (CH) 2010-03-23 US disclosed
US-20080064886-A1 Process for the Preparation of Optically-Active Compounds GIVAUDAN SA (CH) 2008-03-13 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-0636126-B1 PROCESS FOR PRODUCING SCLAREOLIDE HENKEL KGAA (DE) 1997-01-08 EP disclosed
US-5525728-A OXIDIZING AN AQUEOUS ALKALINE SOLUTION COMPRISING SCLAROL AND/OR ABIENOL, A RUTHENIUM CATALYST WITH AN OXIDIZING AGENT, SALT FORMATION WITH A BASE, THEN DESALTING WITH AN ACID HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-06-11 US disclosed
WO-1993021174-A1 PROCESS FOR PRODUCING SCLAREOLIDE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-10-28 WO 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-20080064886-A1 Process for the Preparation of Optically-Active Compounds ADH1C, ADH1A, CYP2E1 ALDH1A1 43/4885CYP3A4 65/4885CYP2C9 23/4885
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.