SCHEMBL13223285

SCHEMBL13223285

C=CCCCC(=O)Nc1ccccc1NC(=O)C(O)C(CC=C)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.39
▸ CTSL P07711 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ KLK5 Q9Y337 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL20181256 0.81 AAK1 (0.43) CTSLMAPTHDAC3HDAC1HDAC2
SCHEMBL13223280 0.80 CAPN1 (0.43) RENMAPTCTSSCTSKCYP3A4
SCHEMBL19345927 0.76 CAPN1 (0.39) RENCTSLCTSSCTSKMEN1
SCHEMBL19346052 0.75 TDP1 (0.39) RENCTSSCTSKMEN1KMT2A
SCHEMBL19792778 0.73 ALDH1A1 (0.43) MAPTCTSSCTSKTP53MEN1
SCHEMBL10290689 0.73 HDAC3 (0.39) MAPTHDAC3HDAC1HDAC2HDAC10
SCHEMBL8203089 0.72 MAPT (0.36) CTSLMAPTAAK1CTSSCTSK
SCHEMBL19345932 0.71 CA1 (0.42) CTSLMAPTCTSSCTSK
SCHEMBL31415847 0.71 ALDH1A1 (0.50) MAPTHDAC3HDAC1HDAC2HDAC10
SCHEMBL19345914 0.70 CA1 (0.46) CTSLMAPTCTSSCTSKKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 REN 851/4885CTSL 2124/4885MAPT 1444/4885

“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.

Send feedback