SCHEMBL4180854

SCHEMBL4180854

CCCCN(CCCC)C(=O)c1ccc(NCC(C)(O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ EGFR P00533 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC6 Q9UBN7 6/20 0.46
▸ LIMK1 P53667 1/20 0.45
▸ LIMK2 P53671 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ HDAC3 O15379 5/20 0.44
▸ HDAC2 Q92769 5/20 0.44
▸ HDAC4 P56524 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL4180423 0.80 NR1H4 (0.43) HPGDHDAC6TSHRALDH1A1
SCHEMBL6674114 0.78 EGFR (0.70) GAAHPGDEGFRERBB2HDAC1
SCHEMBL14777030 0.77 EGFR (0.57) GAAHPGDEGFRERBB2HDAC1
SCHEMBL4180856 0.75 HDAC6 (0.41) GAAHDAC1HDAC6HDAC3HDAC2
SCHEMBL12443251 0.74 EGFR (0.57) GAAHPGDEGFRERBB2HDAC1
SCHEMBL1004032 0.73 HPGD (0.71) GAAHPGDEGFRERBB2HDAC1
SCHEMBL9645501 0.73 EGFR (0.63) GAAHPGDEGFRERBB2HDAC1
SCHEMBL23094049 0.72 CNR2 (0.46) GAAHPGDEGFRERBB2HDAC1
SCHEMBL5968306 0.72 EGFR (0.62) GAAHPGDEGFRERBB2HDAC1
SCHEMBL10455765 0.72 EGFR (0.62) GAAHPGDEGFRERBB2HDAC1

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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US claimed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA GAA 4594/4885HPGD 781/4885EGFR 327/4885

“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.

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