SCHEMBL2634426

SCHEMBL2634426

O=C(O)CCCCCCCCCCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.47
PTGS2 P35354 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL34262 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL3792783 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL27148055 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL28482917 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL18670133 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL28487494 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL15144366 1.00 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL3087541 0.98 KIF11 (0.52) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL329636 0.93 ALDH1A1 (0.55) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23405872 0.90 KIF11 (0.50) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111793106-A Polypeptide helix conformation stabilizing method 安徽大学 2020-10-20 CN claimed
CN-111793106-A Polypeptide helix conformation stabilizing method 安徽大学 2020-10-20 CN disclosed
EP-2437786-B1 PRODRUGS CONTAINING ALBUMIN BINDING PROBE YEDA RES & DEV (IL) 2016-05-18 EP disclosed
US-20150093370-A1 PRODRUGS CONTAINING ALBUMIN BINDING PROBE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-04-02 US disclosed
US-20120134977-A1 PRODRUGS CONTAINING ALBUMIN BINDING PROBE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-05-31 US disclosed
EP-2437786-A1 PRODRUGS CONTAINING ALBUMIN BINDING PROBE Yeda Research and Development Co. Ltd. (IL) 2012-04-11 EP disclosed
WO-2010140148-A1 PRODRUGS CONTAINING ALBUMIN BINDING PROBE YEDA RESEARCH AND DEVELOPMENT CO . LTD (IL) 2010-12-09 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 (2 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-20120134977-A1 PRODRUGS CONTAINING ALBUMIN BINDING PROBE ALB, DNPEP, CNDP2 KIF11 4455/4885HDAC3 2780/4885HDAC4 3522/4885
US-20150093370-A1 PRODRUGS CONTAINING ALBUMIN BINDING PROBE ALB, DNPEP, CNDP2 KIF11 4455/4885HDAC3 2780/4885HDAC4 3522/4885

“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.