SCHEMBL3317231

SCHEMBL3317231

O=C(C1CCCCC1(O)C(=O)c1ccccc1)N1CCC(CCCC2CCN(C(=O)C3CCCCC3(O)C(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
NAMPT P43490 3/20 0.40
CCR1 P32246 1/20 0.39
FAAH O00519 1/20 0.39
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
METAP2 P50579 1/20 0.38
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3317429 0.87 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17296899 0.86 MEN1 (0.46) CCR1CNR2ALDH1A1CNR1
SCHEMBL14041444 0.85 ALDH1A1 (0.39) CCR1CNR2ALDH1A1CNR1
SCHEMBL3314731 0.84 ALDH1A1 (0.40) FAAHCNR2ALDH1A1
SCHEMBL13417305 0.82 CCR1 (0.40) CCR1CNR2ALDH1A1CNR1
SCHEMBL3318005 0.80 ALDH1A1 (0.51) ALDH1A1
SCHEMBL31253337 0.76 CNR2 (0.44) CCR1CNR2ALDH1A1CNR1
SCHEMBL3314911 0.76 CNR2 (0.41) HDAC4CCR1CNR2ALDH1A1CNR1
SCHEMBL3315409 0.74 ALDH1A1 (0.47) CNR2ALDH1A1
SCHEMBL14041259 0.74 CCR1 (0.34) CCR1CNR2ALDH1A1CNR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 HDAC3 950/4885HDAC4 693/4885HDAC1 1265/4885

“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.