SCHEMBL20320520

SCHEMBL20320520

Cc1cc(C(C)(C)Cl)on1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EGFR P00533 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
RORC P51449 1/20 0.31
POLB P06746 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
SCHEMBL171117 0.81 KMT2A (0.48) HCAR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17809490 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1SMN1; SMN2MEN1
SCHEMBL2585198 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1SMN1; SMN2MEN1
SCHEMBL15473290 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1SMN1; SMN2MEN1
SCHEMBL9868320 0.77 HCAR2 (0.42) HCAR2CNR2ALDH1A1SMN1; SMN2MEN1
SCHEMBL2585201 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1MEN1KMT2A
SCHEMBL20320522 0.77 ALDH1A1 (0.39) HCAR2CNR2ALDH1A1SMN1; SMN2MEN1
SCHEMBL9911981 0.74 HCAR2 (0.39) HCAR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12650126 0.74 HCAR2 (0.35) HCAR2CNR2MEN1KMT2ACHRNB2
SCHEMBL20320627 0.74 HCAR2 (0.35) HCAR2CNR2MEN1KMT2ACHRNB2

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 HCAR2 675/4885CNR2 933/4885ALDH1A1 201/4885

“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.