SCHEMBL1883702

SCHEMBL1883702

O=Cc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.70
▸ MAOA P21397 7/20 0.70
▸ LCK P06239 1/20 0.58
▸ RAB9A P51151 2/20 0.56
▸ CCNB2 O95067 1/20 0.56
▸ CDK1 P06493 1/20 0.56
▸ CDK4 P11802 1/20 0.56
▸ CCNB1 P14635 1/20 0.56
▸ CCND1 P24385 1/20 0.56
▸ CCNB3 Q8WWL7 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ BCHE P06276 1/20 0.51
▸ FFAR1 O14842 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.51
▸ NR4A2 P43354 1/20 0.50

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
SCHEMBL12577967 0.91 RAB9A (0.62) MAOBMAOALCKRAB9ACCNB2
SCHEMBL8585674 0.90 MAOB (0.88) MAOBMAOALCKRAB9ACCNB2
SCHEMBL1222314 0.89 RAB9A (0.62) MAOBMAOALCKRAB9ABCHE
SCHEMBL11224860 0.88 MAOA (0.80) MAOBMAOALCKRAB9ACCNB2
SCHEMBL1164139 0.88 MAOB (0.74) MAOBMAOALCKRAB9ACCNB2
SCHEMBL11227317 0.87 MAOA (0.82) MAOBMAOALCKRAB9ACCNB2
SCHEMBL16886110 0.86 MAOB (0.70) MAOBMAOALCKBCHEFFAR1
SCHEMBL158270 0.84 RAB9A (0.68) MAOBMAOALCKRAB9ABCHE
SCHEMBL28237963 0.84 MAOB (0.72) MAOBMAOALCKCCNB2CDK1
SCHEMBL19405966 0.83 MAOB (0.63) MAOBMAOALCKRAB9ACCNB2

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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 — — US disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 — — US disclosed
WO-2009146112-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-03 — — 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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 MAOB 2216/4885MAOA 3127/4885LCK 1162/4885

“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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