SCHEMBL1881853

SCHEMBL1881853

O=C(O)c1ccc(Oc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.71
NR4A1 P22736 1/20 0.71
NR4A3 Q92570 1/20 0.71
SRD5A2 P31213 4/20 0.70
TSHR P16473 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
RXRA P19793 2/20 0.63
RXRB P28702 2/20 0.63
RXRG P48443 2/20 0.63
PLA2G4B P0C869 1/20 0.62
MAOB P27338 1/20 0.58
MRGPRX4 Q96LA9 3/20 0.58
FFAR1 O14842 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
AKR1C3 P42330 1/20 0.57

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
SCHEMBL6342568 0.91 NR4A2 (0.71) NR4A2NR4A1NR4A3SRD5A2TSHR
SCHEMBL1221359 0.89 NR4A2 (0.90) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL19490438 0.89 NR4A2 (0.58) NR4A2NR4A1NR4A3SRD5A2TSHR
SCHEMBL1123461 0.88 NR4A2 (0.81) NR4A2NR4A1NR4A3SRD5A2TSHR
SCHEMBL16886110 0.86 MAOB (0.70) NR4A2MEN1KMT2AMAOBFFAR1
SCHEMBL228477 0.84 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL4059143 0.84 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL6830467 0.84 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL19490437 0.84 L3MBTL1 (0.56) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL2708209 0.84 SRD5A2 (0.71) SRD5A2RXRARXRBRXRGAKR1C3

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-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
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 NR4A2 4188/4885NR4A1 4655/4885NR4A3 4217/4885

“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.