SCHEMBL14724231

SCHEMBL14724231

COCC(C)(C)c1cc(C)no1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HCAR2 Q8TDS4 1/20 0.32
BRAF P15056 1/20 0.32
BRD4 O60885 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1013430 0.80 BRAF (0.32) BRAFCNR1CNR2
SCHEMBL9892872 0.80 BRAF (0.34) BRAFCHRNB4CHRNA3CNR1CNR2
SCHEMBL9891486 0.80 ALDH1A1 (0.35) MEN1KMT2ABRAFCNR1CNR2
SCHEMBL14530597 0.79 POLB (0.36) MEN1KMT2AHCAR2TP53CHRNB2
SCHEMBL14723927 0.77 ALDH1A1 (0.36) BRAFCNR1CNR2ALDH1A1
SCHEMBL20320323 0.77
SCHEMBL20320536 0.77 HCAR2 (0.38) MEN1KMT2AHCAR2CNR1CNR2
SCHEMBL20320522 0.77 ALDH1A1 (0.39) MEN1KMT2AHCAR2CNR2ALDH1A1
SCHEMBL20320538 0.76 POLB (0.38) MEN1KMT2AHCAR2TP53MAPT
SCHEMBL3709322 0.75 SIRT6 (0.36) BRAFCNR1CNR2ALDH1A1SMN1; SMN2

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 3 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
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 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-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 MEN1 3916/4885KMT2A 2086/4885HCAR2 675/4885

“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.