SCHEMBL6465908

SCHEMBL6465908

COC(=O)c1c(C)[nH]c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
KMT2A Q03164 8/20 0.71
POLB P06746 2/20 0.71
LMNA P02545 3/20 0.67
MEN1 O00255 6/20 0.61
GAA P10253 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 3/20 0.61
MAPT P10636 3/20 0.61
KDM4E B2RXH2 3/20 0.53
AR P10275 2/20 0.52
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 2/20 0.46
CISD2 Q8N5K1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR4A2 P43354 1/20 0.42
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6466270 0.86 AR (0.63) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6468391 0.85 ALDH1A1 (0.57) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6469507 0.85 KMT2A (0.52) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6464376 0.85 KMT2A (0.51) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL5361685 0.85 KMT2A (0.51) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL4922469 0.84 KMT2A (0.51) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6464084 0.84 LMNA (0.64) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL4918939 0.84 KMT2A (0.48) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL24411089 0.82 KMT2A (0.47) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6467825 0.82 KMT2A (0.47) ALDH1A1KMT2APOLBLMNAMEN1

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
WO-2022098544-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-05-12 WO disclosed
US-20220144809-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-05-12 US disclosed
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20220144809-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE AR, ADRM1, CRBN ALDH1A1 1867/4885KMT2A 1886/4885POLB 2720/4885
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR ALDH1A1 2144/4885KMT2A 2015/4885POLB 3507/4885

“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.