SCHEMBL6466444

SCHEMBL6466444

COC(=O)c1c(C)[nH]c(C)c1-c1cc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 5/20 0.46
RAB9A P51151 4/20 0.46
SLC6A3 Q01959 1/20 0.46
NR4A2 P43354 1/20 0.45
MAPT P10636 4/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
TP53 P04637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL6469625 0.75 LMNA (0.69) LMNAGAAHTTTSHRKMT2A
SCHEMBL6469660 0.74 LMNA (0.60) LMNAGAAHTTTSHRKMT2A
SCHEMBL14052686 0.73 KDM4E (0.50) KMT2AALDH1A1POLBKDM4EHPGD
SCHEMBL10717437 0.72 HTT (0.67) LMNAGAAHTTTSHRKMT2A
SCHEMBL2907025 0.71 KDM4E (0.62) LMNAKMT2AALDH1A1POLBKDM4E
SCHEMBL3981377 0.71 TNKS (0.69) GAATSHRKMT2AALDH1A1KDM4E
SCHEMBL6468908 0.71 LMNA (0.94) LMNAGAAHTTTSHRKMT2A
SCHEMBL7297776 0.70 LMNA (0.58) LMNAGAAHTTTSHRKMT2A
SCHEMBL5434557 0.70 LMNA (0.52) LMNAGAATSHRKMT2AALDH1A1
SCHEMBL3529069 0.70 MAPT (0.69) HTTTSHRKMT2AALDH1A1KDM4E

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-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 (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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR LMNA 4715/4885GAA 4752/4885HTT 3428/4885

“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.