SCHEMBL20428368

SCHEMBL20428368

COC(=O)CCCC(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
PTGS2 P35354 3/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL20428403 0.93 TP53 (0.42) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20420746 0.92 FPR1 (0.42) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20420755 0.92 KMT2A (0.41) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20428408 0.92 FPR1 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20420809 0.92 FPR1 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20420765 0.92 FPR1 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20428373 0.92 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20420802 0.91 HDAC1 (0.42) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20420726 0.90 PTGS2 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20420785 0.90 PTGS2 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC2

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-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof GUIZHOU BAILING GROUP PHARMACEUTICAL CO., LTD. (CN) 2020-01-28 US disclosed
EP-3354648-A1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) 2018-08-01 EP 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-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof MAP4, TUBA3C, ABCC1 HDAC1 540/4885HDAC8 1178/4885HDAC6 28/4885

“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.