SCHEMBL9880769

SCHEMBL9880769

CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)OC(=O)C[C@@H]12

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
SCHEMBL6251885 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1094480 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9289576 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13206588 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9400263 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13223919 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL17030368 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12794189 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14029401 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL18256420 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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3994117-B1 HYDROGENATION OF ESTERS TO ALCOHOLS IN THE PRESENCE OF A RU-PNN COMPLEX BASF SE (DE) 2024-07-03 — — EP disclosed
US-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes FIRMENICH SA (CH) 2024-01-02 — — US disclosed
US-11708316-B2 Hydrogenation of esters to alcohols in the presence of a Ru-PNN complex BASF SE (DE) 2023-07-25 — — US disclosed
US-20230220431-A1 ENZYMES AND APPLICATIONS THEREOF GIVAUDAN SA (CH) 2023-07-13 — — US disclosed
US-20230220431-A1 ENZYMES AND APPLICATIONS THEREOF GIVAUDAN SA (CH) 2023-07-13 — — US disclosed
US-20230212624-A1 METHOD FOR PURIFYING (-)-AMBROX GIVAUDAN SA (CH) 2023-07-06 — — US disclosed
US-11572352-B2 Method for producing sclareolide SYMRISE AG (DE) 2023-02-07 — — US disclosed
US-20230021613-A1 SQUALENE HOPENE CYCLASE (SHC) VARIANTS GIVAUDAN SA (CH) 2023-01-26 — — US disclosed
US-20220089559-A1 PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS BASF SE (DE) 2022-03-24 — — US disclosed
US-11192873-B2 Process for the preparation of unsaturated carboxylic acids by carbonylation of allyl alcohols and their acylation products BASF SE (DE) 2021-12-07 — — US disclosed
US-20090123404-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2009-05-14 — — US disclosed
US-20090075859-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2009-03-19 — — US disclosed
US-20090075859-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2009-03-19 — — US disclosed
US-7488854-B2 (11E,13E)-labda-11,13-diene-8'',15-diol abdan-type diterpene derivatives; plants protection from various stresses, such as injury, insect pests, disease, and hypersensitivity cell death THE NATIONAL INSTITUTE OF AGROBIOLOGICAL SCIENCES (JP) 2009-02-10 — — US disclosed
US-7488854-B2 (11E,13E)-labda-11,13-diene-8'',15-diol abdan-type diterpene derivatives; plants protection from various stresses, such as injury, insect pests, disease, and hypersensitivity cell death THE NATIONAL INSTITUTE OF AGROBIOLOGICAL SCIENCES (JP) 2009-02-10 — — US disclosed
EP-1997879-A1 NOVEL MICROORGANISM AND METHOD FOR PRODUCING DODECAHYDRO-3A,6,6,9A-TETRAMETHYLNAPHTHO[2,1-B]-FURAN INTERMEDIATE USING THE SAME Kao Corporation (JP) 2008-12-03 — — EP disclosed
EP-1921129-A1 PERFUME COMPOSITION Kao Corporation (JP) 2008-05-14 — — EP disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 — — US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 — — US disclosed
EP-1897932-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2008-03-12 — — 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 (8 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-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes ADH1C, ADH1A, ADH5 ALDH1A1 62/4885CYP3A4 263/4885CYP2C9 881/4885
US-20090075859-A1 FRAGRANCE COMPOSITION FAAH, NAT1, NAA40 ALDH1A1 15/4885CYP3A4 1610/4885CYP2C9 3091/4885
US-20230220431-A1 ENZYMES AND APPLICATIONS THEREOF HAO1, HLCS, HACL2 ALDH1A1 1307/4885CYP3A4 1666/4885CYP2C9 992/4885
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction STAT1, STING1, IRF3 ALDH1A1 2237/4885CYP3A4 4744/4885CYP2C9 4641/4885
US-11192873-B2 Process for the preparation of unsaturated carboxylic acids by carbonylation of allyl alcohols and their acylation products ADH5, ADH1A, ACOX3 ALDH1A1 36/4885CYP3A4 333/4885CYP2C9 386/4885
US-20220089559-A1 PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS ADH5, ADH1A, ACOX3 ALDH1A1 36/4885CYP3A4 333/4885CYP2C9 386/4885
US-20090123404-A1 FRAGRANCE COMPOSITION NAA40, FAAH, TAS1R1 ALDH1A1 44/4885CYP3A4 1135/4885CYP2C9 981/4885
US-11708316-B2 Hydrogenation of esters to alcohols in the presence of a Ru-PNN complex ADH1A, PNN, ADH1C ALDH1A1 103/4885CYP3A4 125/4885CYP2C9 674/4885

“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.

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