SCHEMBL177153

SCHEMBL177153

COc1cc(C(=O)C=C(C)Br)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.55
TNFRSF1A P19438 4/20 0.52
ABCB1 P08183 2/20 0.51
TUBB1 Q9H4B7 6/20 0.50
TUBB4A P04350 4/20 0.50
TUBB P07437 4/20 0.50
TUBA3C P0DPH7 4/20 0.50
TUBA1B P68363 4/20 0.50
TUBA4A P68366 4/20 0.50
TUBB4B P68371 4/20 0.50
TUBB3 Q13509 4/20 0.50
TUBB2A Q13885 4/20 0.50
TUBB8 Q3ZCM7 4/20 0.50
TUBA3E Q6PEY2 4/20 0.50
TUBA1A Q71U36 4/20 0.50
TUBA1C Q9BQE3 4/20 0.50
TUBB6 Q9BUF5 4/20 0.50
TUBB2B Q9BVA1 4/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL177152 1.00 ABCG2 (0.55) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL9869864 0.80 CYP1A2 (0.58) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL9869860 0.80 CYP1A2 (0.58) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL374153 0.78 ABCG2 (0.62) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL9968576 0.77 TPMT (0.58) ABCG2ABCB1TUBB1TUBB4ATUBB
SCHEMBL4819729 0.77 TUBB4A (0.75) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6350350 0.77 ABCG2 (0.60) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
Water SCHEMBL15135999 0.77 ABCG2 (0.60) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
Hydrochloric Acid SCHEMBL27888195 0.75 TUBB4A (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL290542 0.75 LMNA (0.69) ABCG2TUBB1TUBB4ATUBBTUBA3C

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 9 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

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 ABCG2 3806/4885TNFRSF1A 97/4885ABCB1 2153/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 ABCG2 3806/4885TNFRSF1A 97/4885ABCB1 2153/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 ABCG2 4586/4885TNFRSF1A 66/4885ABCB1 3306/4885

“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.