SCHEMBL4780814

SCHEMBL4780814

CC(=CCO)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
TRPV1 Q8NER1 1/20 0.48
TRPA1 O75762 2/20 0.44
TTL Q8NG68 5/20 0.37
UGT2B7 P16662 5/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL4781025 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL21617318 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL29542590 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL15514413 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL3970172 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL5861696 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL12260912 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL26830899 0.91 ALDH1A1 (0.56) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL19537585 0.91 ALDH1A1 (0.56) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL26831180 0.91 ALDH1A1 (0.56) ALDH1A1MEN1CYP3A4MAPTKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083975-B1 STEREO-SPECIFIC SYNTHESIS OF (13R)-MANOYL OXIDE UNIV DENMARK TECH DTU (DK) 2018-11-14 EP claimed
US-20260062687-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH & CIE (CH) 2026-03-05 US disclosed
US-12486499-B2 Biocatalytic method for the controlled degradation of terpene compounds FIRMENICH SA (CH) 2025-12-02 US disclosed
US-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 US disclosed
US-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 US disclosed
EP-2783004-B1 DITERPENE SYNTHASES AND METHOD FOR PRODUCING DITERPENOIDS UNIV BRITISH COLUMBIA (CA) 2019-08-07 EP disclosed
EP-3083975-B1 STEREO-SPECIFIC SYNTHESIS OF (13R)-MANOYL OXIDE UNIV DENMARK TECH DTU (DK) 2018-11-14 EP disclosed
US-20170321230-A1 Diterpene Synthases and Method for Producing Diterpenoids UNIV BRITISH COLUMBIA (CA) 2017-11-09 US disclosed
US-9677091-B2 Diterpene synthases and method for producing diterpenoids THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-13 US disclosed
US-20160318893-A1 STEREO-SPECIFIC SYNTHESIS OF (13R)-MANOYL OXIDE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-11-03 US disclosed
WO-2015091943-A1 STEREO-SPECIFIC SYNTHESIS OF (13R)-MANOYL OXIDE TECHNICAL UNVERSITY OF DENMARK (DK) 2015-06-25 WO disclosed
EP-2886647-A1 Polypeptides with diterpene synthase activity Technical University of Denmark (DK) 2015-06-24 EP disclosed
US-20150037854-A1 DITERPENE SYNTHASES AND METHOD FOR PRODUCING DITERPENOIDS UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-02-05 US disclosed
US-8889381-B2 Diterpene synthases and method for producing diterpenoids UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-18 US disclosed
EP-2783004-A1 DITERPENE SYNTHASES AND METHOD FOR PRODUCING DITERPENOIDS The University of British Columbia (CA) 2014-10-01 EP disclosed
US-20130224809-A1 Diterpene Synthases And Method For Producing Diterpenoids UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-08-29 US disclosed
WO-2013075239-A1 DITERPENE SYNTHASES AND METHOD FOR PRODUCING DITERPENOIDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-30 WO disclosed
WO-2008007031-A1 GENES CODING FOR CIS-LABDA-12,14-DIEN-8 ALPHA-OL (CIS-ABIENOL) SYNTHASE AND SYN-COPALYL-8-OL DIPHOSPHATE SYNTHASE AND USES THEREOF LIBROPHYT (FR) 2008-01-17 WO disclosed
EP-1253909-B1 PHARMACEUTICAL FORMULATIONS COMPRISING LABDANES FOR THE TREATMENT OF TUMORS OR LEUKEMIAS MEDEXIS S A (GR) 2006-09-06 EP disclosed
US-6652877-B1 With lipid or liposomal compounds P.N. GEROLYMATOS S.A. (GR) 2003-11-25 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 (3 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-20260062687-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS CYP51A1, BBOX1, ERG28 ALDH1A1 2779/4885MEN1 633/4885CYP3A4 289/4885
US-20170321230-A1 Diterpene Synthases and Method for Producing Diterpenoids DHPS, GGPS1, FDPS ALDH1A1 2718/4885MEN1 3795/4885CYP3A4 845/4885
US-20160318893-A1 STEREO-SPECIFIC SYNTHESIS OF (13R)-MANOYL OXIDE GGPS1, GMDS, COASY ALDH1A1 1811/4885MEN1 514/4885CYP3A4 936/4885

“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.