SCHEMBL16038513

SCHEMBL16038513

COc1ccc(C(OC[C@H](Cn2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ FLT4 P35916 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ TMIGD3 P0DMS9 2/20 0.37
▸ ADORA3 P0DMS8 5/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL16041215 1.00 HDAC1 (0.46) HDAC1HDAC6FLT4KDRCDK5
SCHEMBL16198031 0.91 HDAC1 (0.47) HDAC1HDAC6FLT4KDRCDK5
SCHEMBL16039838 0.89 HDAC1 (0.42) HDAC1HDAC6FLT4KDRCDK5
SCHEMBL23056372 0.88 HDAC1 (0.47) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL29259736 0.83 CDK5 (0.44) HDAC1HDAC6CDK5CDK5R1EGFR
SCHEMBL21873559 0.82 HDAC1 (0.42) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL21873561 0.82 HDAC1 (0.42) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL16040107 0.82 HDAC1 (0.36) HDAC1HDAC6FLT4KDRCDK5
SCHEMBL16041571 0.82 HDAC1 (0.36) HDAC1HDAC6FLT4KDRCDK5
SCHEMBL29259454 0.81 CCNB2 (0.42) HDAC1HDAC6FLT4KDRCDK5

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-9169256-B2 Artificial nucleic acids ELITECHGROUP B.V. (NL) 2015-10-27 — — US disclosed
WO-2014175974-A2 ARTIFICIAL NUCLEIC ACIDS ELITECH HOLDING B.V. (NL) 2014-10-30 — — WO disclosed
US-20140275508-A1 ARTIFICIAL NUCLEIC ACIDS ELITECH HOLDING B.V. (NL) 2014-09-18 — — 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-20140275508-A1 ARTIFICIAL NUCLEIC ACIDS NSUN2, POLRMT, NSUN3 HDAC1 2209/4885HDAC6 4328/4885FLT4 4740/4885

“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.

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