SCHEMBL3687003

SCHEMBL3687003

CC(O)C12CCCCC1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5357561 1.00 ATP1A1 (0.34) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL13442991 0.98 ATP1A1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL5609089 0.78 HSD17B10 (0.33) HSD17B10LMNATSHR
SCHEMBL8018898 0.78
SCHEMBL3095782 0.78
SCHEMBL10888621 0.78
SCHEMBL10538406 0.76
SCHEMBL20558277 0.74 GABRP (0.30) TSHR
SCHEMBL11268577 0.73
SCHEMBL3001633 0.73 SHBG (0.33)

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
US-12234206-B2 Bi- and tricyclic compounds for use as aroma chemicals BASF SE (DE) 2025-02-25 US disclosed
CN-113286776-B Bicyclic and tricyclic compounds useful as fragrance chemicals 巴斯夫欧洲公司 2024-07-26 CN disclosed
US-20220064095-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS P2 SCIENCE INC. 2022-03-03 US disclosed
EP-3898564-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-10-27 EP disclosed
WO-2020127305-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-06-25 WO disclosed
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2017-09-07 US disclosed
US-9447013-B2 Method for producing oxide DAICEL CORPORATION (JP) 2016-09-20 US disclosed
US-20160159722-A1 METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2016-06-09 US disclosed
EP-3023407-A1 METHOD FOR PRODUCING OXIDE Daicel Corporation (JP) 2016-05-25 EP disclosed
EP-2248792-B1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND DAICEL CHEM (JP) 2013-11-27 EP disclosed
US-20100317869-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-16 US disclosed
EP-2248792-A1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND Daicel Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed
EP-2116303-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME Daicel Chemical Industries, Ltd. (JP) 2009-11-11 EP disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 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 (5 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-12234206-B2 Bi- and tricyclic compounds for use as aroma chemicals CHRM1, C1S, C1R ATP1A1 4185/4885ATP1B1 3463/4885ATP1A3 3801/4885
US-20100317869-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME AOC2, NOXO1, NOX1 ATP1A1 1943/4885ATP1B1 1816/4885ATP1A3 3552/4885
US-20160159722-A1 METHOD FOR PRODUCING OXIDE HAO2, NOXO1, NOX4 ATP1A1 4286/4885ATP1B1 3892/4885ATP1A3 4609/4885
US-20220064095-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS CHRM1, C1S, C1R ATP1A1 4130/4885ATP1B1 3510/4885ATP1A3 3758/4885
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE HAO2, HAO1, SCO2 ATP1A1 753/4885ATP1B1 517/4885ATP1A3 580/4885

“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.