SCHEMBL516828

SCHEMBL516828

O=C1c2ccccc2C(=O)N1CCCCC1(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR1A P08908 3/20 0.49
ACHE P22303 1/20 0.48

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
SCHEMBL517542 0.80 DRD2 (0.43) TDP1HDAC8HDAC3HDAC4HDAC1
SCHEMBL21496644 0.80 CA12 (0.53) HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL6790333 0.77 TDP1 (0.71) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL2554681 0.76 KDM4E (0.72) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL8862728 0.75 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL6777483 0.75 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL2604742 0.75 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL8863154 0.75 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL8862878 0.75 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL8863094 0.75 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4

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-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 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-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 TDP1 2877/4885L3MBTL1 3544/4885HDAC8 530/4885

“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.