SCHEMBL1858280

SCHEMBL1858280

[C]#Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL16952991 0.82 ACHE (0.36) GRM5
SCHEMBL16961799 0.82 RAPGEF4 (0.32)
SCHEMBL16958514 0.78 GABRA1 (0.34)
SCHEMBL16952351 0.78 RXRA (0.33) CES2
SCHEMBL16960842 0.77 ALDH1A1 (0.40) CA1GRM5
SCHEMBL1859766 0.73
SCHEMBL449836 0.71
SCHEMBL210861 0.69
SCHEMBL16963258 0.69 CA12 (0.38) CA12CA1CA9CES2CES1
SCHEMBL314317 0.69 CA12 (0.38) CA12CA1CA9CES2CES1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4379888-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
CN-117795727-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery provided with same 信越化学工业株式会社 2024-03-29 CN disclosed
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8895565-B2 Heterocyclic compound and use of the same NISHIO TETSUYA (JP) 2014-11-25 US disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME NISHIO TETSUYA (JP) 2011-12-29 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 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-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME CYP2D6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA12 707/4885CA1 1723/4885CA9 799/4885
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD CA12 1447/4885CA1 783/4885CA9 234/4885
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C CA12 4699/4885CA1 4729/4885CA9 3673/4885

“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.