SCHEMBL4175392

SCHEMBL4175392

CC(O)(CNc1ccc(/C=C/C(=O)NCC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.50
HDAC1 Q13547 6/20 0.48
HDAC3 O15379 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC4 P56524 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
HDAC2 Q92769 4/20 0.43
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
KCNH2 Q12809 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
EPHX1 P07099 2/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL4176525 0.81 HDAC6 (0.56) ALDH1A1KMT2AHDAC6EPHX1SMN1; SMN2
SCHEMBL846442 0.75 HDAC1 (0.53) ALDH1A1KMT2AHDAC1HDAC3HDAC8
SCHEMBL846443 0.75 HDAC1 (0.53) ALDH1A1KMT2AHDAC1HDAC3HDAC8
SCHEMBL846845 0.69 CA12 (0.53) KMT2AHDAC1HDAC3HDAC8HDAC6
SCHEMBL11156911 0.69 CA12 (0.53) KMT2AHDAC1HDAC3HDAC8HDAC6
SCHEMBL11419830 0.68 ALDH1A1 (1.00) ALDH1A1KMT2AHDAC1HDAC3HDAC8
SCHEMBL11419825 0.68 ALDH1A1 (1.00) ALDH1A1KMT2AHDAC1HDAC3HDAC8
SCHEMBL11419824 0.68 ALDH1A1 (1.00) ALDH1A1KMT2AHDAC1HDAC3HDAC8
SCHEMBL17483888 0.65 HDAC1 (1.00) ALDH1A1HDAC1HDAC3HDAC8HDAC6
SCHEMBL13078096 0.65 SMN1; SMN2 (0.55) ALDH1A1KMT2AEPHX1SMN1; SMN2GAA

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
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
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO 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 ALDH1A1 1408/4885KMT2A 1757/4885HDAC1 418/4885

“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.