SCHEMBL566348

SCHEMBL566348

CCc1c(C(=O)O)oc2cc(OC)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.68
ALDH1A1 P00352 7/20 0.68
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
LCK P06239 1/20 0.51
SLC22A12 Q96S37 2/20 0.50
NQO1 P15559 1/20 0.50
CYP2C9 P11712 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47

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
SCHEMBL5322782 0.91 KDM4E (0.63) KDM4EALDH1A1CA12CA1CA2
SCHEMBL8702456 0.89 KDM4E (0.56) KDM4EALDH1A1SLC22A12NQO1CYP2C9
SCHEMBL4274077 0.87 KDM4E (0.66) KDM4EALDH1A1CA12CA1CA2
SCHEMBL29233604 0.83 KDM4E (0.50) KDM4EALDH1A1CA12CA1CA2
SCHEMBL5272919 0.82 KDM4E (0.57) KDM4EALDH1A1SLC22A12NQO1CYP2C9
SCHEMBL11325086 0.81 KDM4E (0.61) KDM4EALDH1A1CA12CA1CA2
SCHEMBL6243382 0.81 KDM4E (0.73) KDM4EALDH1A1CA12CA1CA2
SCHEMBL10372134 0.81 KDM4E (0.73) KDM4EALDH1A1CA12CA1CA2
SCHEMBL10913333 0.81 MCL1 (0.48) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL4762078 0.81 KDM4E (1.00) KDM4EALDH1A1CA12CA1CA2

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS 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 (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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 KDM4E 1701/4885ALDH1A1 3045/4885CA12 4777/4885

“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.