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SCHEMBL15614859

SCHEMBL15614859

CC1(C)Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ LPL P06858 13/20 0.47
▸ LIPG Q9Y5X9 13/20 0.47
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ F11 P03951 1/20 0.39
▸ ESR2 Q92731 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL1230718 0.85 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL31430328 0.84 MAPT (0.46) LPLLIPGCA1CA2CA9
SCHEMBL10074112 0.82 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL10074115 0.82 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL17486160 0.80 DGAT1 (0.51) TSHRLPLLIPGKIF11
SCHEMBL14792954 0.79 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL3148663 0.78 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL14212260 0.78 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL29634547 0.78 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL30544472 0.78 LPL (0.44) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 — — US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 — — US disclosed
EP-2970185-B1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2023-07-12 — — EP disclosed
EP-2970185-B1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2023-07-12 — — EP disclosed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 — — US disclosed
US-20210115058-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2021-04-22 — — US disclosed
EP-3424936-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-04-07 — — EP disclosed
US-10934304-B2 Spirocyclic compounds RECURIUM IP HOLDINGS, LLC (US) 2021-03-02 — — US disclosed
CN-111704602-A Heterocyclylpyridines and their use as herbicides 美国陶氏益农公司 2020-09-25 — — CN disclosed
US-20200216605-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-07-09 — — US disclosed
WO-2015104045-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-07-16 — — WO disclosed
US-20150171348-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-06-18 — — US disclosed
US-20150171348-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-06-18 — — US disclosed
WO-2014151005-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-2(HETEROCYCLIC) PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-25 — — WO disclosed
WO-2014151008-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-25 — — WO disclosed
WO-2014151008-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-25 — — WO disclosed
US-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
WO-2014023377-A2 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-02-13 — — 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 (6 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-20210115058-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 TSHR 2355/4885LPL 1082/4885LIPG 1747/4885
US-20150171348-A1 Metal Complexes SOD1, AP1M1, AP3M1 TSHR 4496/4885LPL 3163/4885LIPG 3210/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 TSHR 4496/4885LPL 3163/4885LIPG 3210/4885
US-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, ABAT, PAH TSHR 1867/4885LPL 4697/4885LIPG 4750/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 TSHR 4796/4885LPL 2338/4885LIPG 2895/4885
US-10934304-B2 Spirocyclic compounds PKD1, AR, PKD2 TSHR 2355/4885LPL 1082/4885LIPG 1747/4885

“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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