SCHEMBL5513552

SCHEMBL5513552

Oc1cc(F)cc(F)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.52
CA9 Q16790 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.42
NOTUM Q6P988 1/20 0.41
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PTGS1 P23219 1/20 0.34

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
SCHEMBL6346766 0.87 CA9 (0.55) ERN1CA9CA3CA6CA5A
SCHEMBL78286 0.87 ERN1 (0.56) ERN1CA9CA3CA6CA5A
SCHEMBL27540052 0.84 ERN1 (0.54) ERN1CA9CA3CA6CA5A
SCHEMBL363803 0.79 CES2 (0.48) ERN1CA9CA3CA6CA5A
SCHEMBL8059874 0.79 IDO1 (0.55) ERN1CA9CA3CA6CA5A
SCHEMBL27509672 0.77 CES2 (0.46) ERN1CA9CA3CA6CA5A
SCHEMBL15805434 0.76 ERN1 (0.43) ERN1CA9CA3CA6CA5A
SCHEMBL29112908 0.75 CA9 (0.39) ERN1CA9CA3CA6CA5A
SCHEMBL29112906 0.75 ERN1 (0.42) ERN1CA9CA3CA6CA5A
SCHEMBL14466466 0.75 ERN1 (0.42) ERN1CA9CA3CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
WO-2024160277-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2024-08-08 WO 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
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
EP-3640249-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2020-04-22 EP disclosed
EP-3640249-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2020-04-22 EP disclosed
CN-110583663-A Compounds of formula (I) and their use as herbicides 美国陶氏益农公司 2019-12-20 CN disclosed
US-9149038-B2 4-amino-6-(heterocyclic)picolinates and 6-amino-2-(heterocyclic)pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-10-06 US disclosed
US-9149038-B2 4-amino-6-(heterocyclic)picolinates and 6-amino-2-(heterocyclic)pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-10-06 US 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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed
US-6281180-B1 Automatic dishwashing compositions containing water soluble cationic or amphoteric polymers LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. 2001-08-28 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 ERN1 3029/4885CA9 654/4885CA3 837/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 ERN1 3637/4885CA9 3020/4885CA3 4552/4885
US-20140274701-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, ABAT, PAH ERN1 4467/4885CA9 1685/4885CA3 283/4885

“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.