SCHEMBL20320540

SCHEMBL20320540

C=C(C)CCc1cc(C)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HCAR2 Q8TDS4 1/20 0.36
EPHX2 P34913 2/20 0.35
POLB P06746 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
PYCR1 P32322 1/20 0.32
PPARA Q07869 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 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
SCHEMBL22317120 0.78 VHL (0.49) VHLMEN1KMT2AALDH1A1HCAR2
SCHEMBL4664037 0.76 VHL (0.47) VHLMEN1KMT2AALDH1A1HCAR2
SCHEMBL4694487 0.76
SCHEMBL1233711 0.76
SCHEMBL12530275 0.75 VHL (0.46) VHLMEN1KMT2AALDH1A1HCAR2
SCHEMBL805506 0.74
SCHEMBL22317122 0.74 VHL (0.49) VHLMEN1KMT2AALDH1A1HCAR2
SCHEMBL1052595 0.73 VHL (0.44) VHLMEN1KMT2AALDH1A1HCAR2
SCHEMBL28037973 0.72
SCHEMBL8563887 0.72 VHL (0.42) VHLMEN1KMT2AALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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 (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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS VHL 1715/4885MEN1 3916/4885KMT2A 2086/4885

“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.