SCHEMBL17581978

SCHEMBL17581978

[CH2]C(C)OCCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
NFE2L2 Q16236 1/20 0.37
SIGMAR1 Q99720 3/20 0.34
OGA O60502 2/20 0.33
NR3C1 P04150 1/20 0.32
METAP1 P53582 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL127531 0.89
SCHEMBL12459488 0.83 CYP1A2 (0.43) CYP1A2NFE2L2SIGMAR1NR3C1METAP1
SCHEMBL20667438 0.80 CYP1A2 (0.39) CYP1A2NFE2L2SIGMAR1NR3C1
SCHEMBL30100174 0.79 CYP1A2 (0.40) CYP1A2NFE2L2SIGMAR1NR3C1METAP1
SCHEMBL5839317 0.79 CYP1A2 (0.40) CYP1A2NFE2L2SIGMAR1METAP1SMN1; SMN2
SCHEMBL15295216 0.79 NFE2L2 (0.41) CYP1A2NFE2L2SIGMAR1METAP1
SCHEMBL12459845 0.79 CYP1A2 (0.40) CYP1A2NFE2L2SIGMAR1OGANR3C1
SCHEMBL12459861 0.79 CYP1A2 (0.40) CYP1A2NFE2L2SIGMAR1
SCHEMBL6129979 0.79 CYP1A2 (0.40) CYP1A2NFE2L2SIGMAR1OGAMETAP1
SCHEMBL16590963 0.78 CTSL (0.41) CYP1A2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191471-B1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2020-03-11 EP disclosed
EP-3191471-A1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2017-07-19 EP disclosed
US-9550754-B2 4,5-dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-24 US disclosed
WO-2016038160-A1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-17 WO disclosed
US-20160075691-A1 4,5- DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-17 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 (1 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-20160075691-A1 4,5- DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC5A1, GFPT1, SULT2A1 CYP1A2 112/4885NFE2L2 3525/4885SIGMAR1 1364/4885

“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.