SCHEMBL1017622

SCHEMBL1017622

CON(C)C(=O)c1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.52
GPBAR1 Q8TDU6 9/20 0.49
NOTUM Q6P988 2/20 0.40
ADCY8 P40145 2/20 0.39
ADCY1 Q08828 2/20 0.39
EPHX2 P34913 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL312347 0.88 MLYCD (0.52) MLYCDGPBAR1NOTUMEPHX2CLK1
SCHEMBL31073566 0.85 MLYCD (0.56) MLYCDGPBAR1NOTUMEPHX2HDAC8
SCHEMBL18046159 0.85 MLYCD (0.52) MLYCDGPBAR1NOTUMEPHX2TAS2R14
SCHEMBL13122963 0.84 GPBAR1 (0.53) GPBAR1ADCY8ADCY1TAS2R14KMT2A
SCHEMBL20703207 0.84 MLYCD (0.51) MLYCDGPBAR1NOTUMHDAC8
SCHEMBL18374368 0.82 MLYCD (0.52) MLYCDGPBAR1NOTUMEPHX2CLK1
SCHEMBL16421209 0.82 MLYCD (0.52) MLYCDGPBAR1NOTUMEPHX2CLK1
SCHEMBL5367773 0.81 MLYCD (0.51) MLYCDGPBAR1NOTUMEPHX2CLK1
SCHEMBL31255266 0.81 NOTUM (0.64) MLYCDGPBAR1NOTUMEPHX2CLK1
SCHEMBL4843412 0.80 MLYCD (0.49) MLYCDCLK1DYRK1ADYRK1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-2271639-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
US-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-11 US disclosed
WO-2009090237-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-07-23 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 (2 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK MLYCD 614/4885GPBAR1 2299/4885NOTUM 2577/4885
US-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD MLYCD 1042/4885GPBAR1 4680/4885NOTUM 230/4885

“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.