SCHEMBL18256371

SCHEMBL18256371

CCOC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)Nc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.56
HDAC1 Q13547 10/20 0.56
HDAC4 P56524 9/20 0.56
HDAC7 Q8WUI4 9/20 0.56
HDAC11 Q96DB2 9/20 0.56
HDAC8 Q9BY41 9/20 0.56
HDAC6 Q9UBN7 9/20 0.56
HDAC9 Q9UKV0 9/20 0.56
HDAC5 Q9UQL6 9/20 0.56
HDAC3 O15379 9/20 0.56
HDAC2 Q92769 9/20 0.56
HDAC10 Q969S8 8/20 0.56
KDM4E B2RXH2 1/20 0.55
BRD4 O60885 1/20 0.55
NCOR1 O75376 1/20 0.55
NR1I2 O75469 1/20 0.55
EGFR P00533 1/20 0.55
CYP3A4 P08684 1/20 0.55
LTA4H P09960 1/20 0.55
NR0B1 P51843 1/20 0.55

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
SCHEMBL18256373 0.99 KLK7 (0.57) KLK7HDAC1HDAC4HDAC7HDAC11
SCHEMBL11467992 0.93 HDAC3 (0.56) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL18256355 0.93 HDAC3 (0.56) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL18248652 0.91 ENPP2 (0.60) KLK7HDAC1HDAC4HDAC7HDAC11
SCHEMBL27430785 0.89 ENPP2 (0.58) KLK7HDAC1HDAC4HDAC7HDAC11
SCHEMBL18256372 0.86 ALDH1A1 (0.55) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL28855893 0.86 ALDH1A1 (0.70) HDAC1HDAC4HDAC7HDAC11HDAC8
SCHEMBL5153509 0.85 USP2 (0.61) KLK7KDM4EALDH1A1
SCHEMBL10682388 0.85 TP53 (0.58) KLK7HDAC1HDAC4HDAC7HDAC11
SCHEMBL3067050 0.83 HPGD (0.66) HDAC1HDAC4HDAC7HDAC11HDAC8

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-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 KLK7 488/4885HDAC1 643/4885HDAC4 797/4885

“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.