SCHEMBL16190108

SCHEMBL16190108

COc1cc(C)cc(/C(C#N)=C/c2ccc3ccccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 3/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ NQO2 P16083 2/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL16180542 0.93 KDM4E (0.53) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL16180543 0.93 KDM4E (0.53) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL20106730 0.85 MAPT (0.46) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL17576071 0.85 GLA (0.45) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL16180419 0.82 TUBB4A (0.54) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL16180418 0.82 TUBB4A (0.54) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL20101492 0.81 TUBB4A (0.47) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL1956953 0.80 GLA (0.54) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL1956955 0.80 GLA (0.54) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL20106756 0.76 TUBB4A (0.45) MAPTKDM4ENPC1RAB9ALMNA

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-20180118710-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2018-05-03 — — US disclosed
US-9884842-B2 Combretastatin analogs BIOVENTURES, LLC (US) 2018-02-06 — — US disclosed
US-20160068506-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2016-03-10 — — US disclosed
WO-2014172363-A2 COMBRETASTATIN ANALOGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-10-23 — — 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-20180118710-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 MAPT 3070/4885KDM4E 2118/4885NPC1 430/4885
US-20160068506-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 MAPT 3070/4885KDM4E 2118/4885NPC1 430/4885

“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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