SCHEMBL10107038

SCHEMBL10107038

COc1ccc(/C(C)=N/OCc2cccc(OC(F)(F)F)c2F)cc1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.40
PDE4D Q08499 2/20 0.38
GRIN2B Q13224 1/20 0.38
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.35
PTBP1 P26599 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL10102080 0.88 NR1H4 (0.37) NR1H4GRIN2BLMNAPTBP1SMN1; SMN2
SCHEMBL10106911 0.81 PDE4D (0.45) PDE4DRECQLLMNAPPARGPPARA
SCHEMBL10106913 0.80 GRIN2B (0.44) GRIN2BPPARGPPARA
SCHEMBL10107287 0.78 MAOB (0.43) PDE4DRECQLLMNAPTBP1SMN1; SMN2
SCHEMBL10106925 0.76 SMN1; SMN2 (0.49) PDE4DRECQLLMNAPTBP1SMN1; SMN2
SCHEMBL10106852 0.76 PTPN7 (0.46) PDE4DRECQLLMNAPTBP1SMN1; SMN2
SCHEMBL10107036 0.74 RECQL (0.43) PDE4DRECQLLMNAPTBP1SMN1; SMN2
SCHEMBL15255539 0.74 NPC1 (0.48) RECQLLMNASMN1; SMN2PPARGPPARA
SCHEMBL10107226 0.72 MAOA (0.42) PDE4DRECQLLMNAPPARGPPARA
SCHEMBL10106910 0.72 NPC1 (0.46) RECQLPPARGPPARAPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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 (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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 NR1H4 27/4885PDE4D 1364/4885GRIN2B 1384/4885

“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.