SCHEMBL4180856

SCHEMBL4180856

CC(O)(CNc1ccccc1)C(=O)O.CCCCN(C=O)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.41
▸ GAA P10253 2/20 0.39
▸ ICMT O60725 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EPHX1 P07099 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HDAC2 Q92769 4/20 0.35
▸ HDAC8 Q9BY41 4/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35

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
Dimethylformamide SCHEMBL4180425 0.82 PDK1 (0.37) HDAC6GAAALOX12CYP2C19HDAC2
SCHEMBL4180854 0.75 GAA (0.49) HDAC6GAAALDH1A1HDAC2HDAC8
SCHEMBL11706981 0.68 OPRM1 (0.48) —
SCHEMBL6692894 0.67 FFAR1 (0.43) GAAALDH1A1EPHX1MAPTSMN1; SMN2
SCHEMBL7272839 0.67 HDAC6 (0.44) HDAC6ALDH1A1NPSR1HDAC2HDAC8
SCHEMBL26772 0.66 TSHR (0.41) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL26990324 0.65 ALDH1A1 (0.39) GAAALDH1A1NPSR1EPHX1HTT
SCHEMBL4180423 0.65 NR1H4 (0.43) HDAC6ALDH1A1HTTCYP2C19KMT2A
SCHEMBL2015299 0.65 MAPT (0.44) GAAALDH1A1NPSR1CYP2C19KMT2A
SCHEMBL11676648 0.65 LMNA (0.49) ALDH1A1NPSR1HTTCYP2C19KMT2A

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-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

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 HDAC6 1367/4885GAA 4594/4885ICMT 4714/4885

“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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