SCHEMBL5753785

SCHEMBL5753785

O=C(NC(Cc1ccc(F)cc1)C(O)c1ccc(F)cc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
MMP3 P08254 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
BACE1 P56817 1/20 0.43
HDAC2 Q92769 2/20 0.42
CCR3 P51677 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
PLK1 P53350 1/20 0.42
CAPN1 P07384 2/20 0.41
CNR2 P34972 2/20 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
SCHEMBL5752263 0.93 DRD4 (0.48) HDAC8MMP3ALDH1A1LMNABACE1
SCHEMBL5751220 0.93 DRD4 (0.48) HDAC8MMP3ALDH1A1LMNABACE1
SCHEMBL5750372 0.92 DRD4 (0.48) ALDH1A1LMNABACE1KMT2ACYP1A2
SCHEMBL5752112 0.87 DRD4 (0.50) BACE1
SCHEMBL7122508 0.86 ALDH1A1 (0.41) ALDH1A1BACE1CNR2KMT2ACYP1A2
SCHEMBL5753845 0.85 DRD4 (0.41) HDAC2
SCHEMBL5751861 0.84 CCR1 (0.42) HDAC8MMP3ALDH1A1LMNABACE1
SCHEMBL5750142 0.84 DRD4 (0.40) BACE1CNR2
SCHEMBL5753159 0.83 DRD4 (0.39) CNR2
SCHEMBL5751502 0.82 ALDH1A1 (0.38) ALDH1A1BACE1CNR2KMT2ACYP1A2

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP HDAC8 790/4885MMP3 2614/4885ALDH1A1 783/4885

“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.