SCHEMBL177364

SCHEMBL177364

CC#CC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TUBB4A P04350 3/20 0.50
TUBB P07437 3/20 0.50
TUBA3C P0DPH7 3/20 0.50
TUBA1B P68363 3/20 0.50
TUBA4A P68366 3/20 0.50
TUBB4B P68371 3/20 0.50
TUBB3 Q13509 3/20 0.50
TUBB2A Q13885 3/20 0.50
TUBB8 Q3ZCM7 3/20 0.50
TUBA3E Q6PEY2 3/20 0.50
TUBA1A Q71U36 3/20 0.50
TUBA1C Q9BQE3 3/20 0.50
TUBB6 Q9BUF5 3/20 0.50
TUBB2B Q9BVA1 3/20 0.50
TUBB1 Q9H4B7 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TPMT P51580 1/20 0.49

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
SCHEMBL10429070 0.85 TPMT (0.50) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL10428832 0.84 MEN1 (0.50) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL10428879 0.82 MEN1 (0.49) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL10428846 0.82 ABCG2 (0.46) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL10428912 0.81 ALDH1A1 (0.44) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL10428906 0.81 MAPK1 (0.47) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL10622361 0.81 MEN1 (0.49) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL4797626 0.81 TUBB4A (0.50) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL9832697 0.81 PDE4A (0.56) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL7461875 0.80 KMT2A (0.43) KMT2AMEN1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-4929741-A ANTISECRETORY AGENTS, GASTRIC JUICE, ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-05-29 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 KMT2A 2386/4885MEN1 1409/4885TUBB4A 4451/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 KMT2A 2386/4885MEN1 1409/4885TUBB4A 4451/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 KMT2A 3231/4885MEN1 984/4885TUBB4A 4623/4885

“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.