SCHEMBL18256355

SCHEMBL18256355

CCOC(=O)Cc1ccc(NC(=O)CCCCCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
TRPV1 Q8NER1 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM1A O60341 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL11467992 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18256371 0.93 KLK7 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18256373 0.91 KLK7 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18256354 0.87 HPGD (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18248652 0.86 ENPP2 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18256332 0.85 ALDH1A1 (0.58) HDAC10HDAC6NPC1RAB9AALDH1A1
SCHEMBL27430785 0.85 ENPP2 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18248619 0.83 HDAC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11458904 0.83 MAPT (0.52) TRPV1MAPTSMN1; SMN2
SCHEMBL18256372 0.82 ALDH1A1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2018-05-24 US disclosed
US-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2018-05-24 US disclosed
US-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2018-05-24 US disclosed
WO-2016184561-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2016-11-24 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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SPINT2, SERPINB1 HDAC3 1104/4885HDAC4 797/4885HDAC1 643/4885

“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.