SCHEMBL9112229

SCHEMBL9112229

O=C(O)C=CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
GSK3B P49841 2/20 0.56
BACE1 P56817 2/20 0.56
PTGS1 P23219 2/20 0.54
PTGS2 P35354 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOB P27338 1/20 0.54
PARP10 Q53GL7 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL9112220 1.00 ALDH1A1 (0.59) ALDH1A1NR4A1NR4A2NR4A3FFAR1
SCHEMBL27622370 0.87 PTGER3 (0.65) ALDH1A1FFAR1FFAR4GSK3BBACE1
SCHEMBL6176435 0.85 NPC1 (0.55) ALDH1A1NR4A1NR4A2NR4A3FFAR1
SCHEMBL6176427 0.85 NPC1 (0.55) ALDH1A1NR4A1NR4A2NR4A3FFAR1
SCHEMBL15671252 0.83 NR1H4 (0.56) ALDH1A1NR4A1NR4A2NR4A3FFAR1
SCHEMBL15671249 0.83 NR1H4 (0.56) ALDH1A1NR4A1NR4A2NR4A3FFAR1
SCHEMBL1233515 0.83 MAOB (0.61) ALDH1A1LMNACYP2C19HDAC6MAOB
SCHEMBL2280548 0.83 MAOB (0.61) ALDH1A1LMNACYP2C19HDAC6MAOB
SCHEMBL2555173 0.83 MAOB (0.61) ALDH1A1LMNACYP2C19HDAC6MAOB
SCHEMBL11021258 0.82 FFAR1 (0.53) ALDH1A1FFAR1FFAR4PARP10SRD5A2

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
EP-2460810-B1 NOVEL FLAVANONE DERIVATIVE UNIV OKAYAMA NAT UNIV CORP (JP) 2015-07-15 EP disclosed
US-8916526-B2 Flavanone derivative NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2014-12-23 US disclosed
US-20120202980-A1 Novel Flavanone Derivative NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-08-09 US disclosed
EP-2460810-A1 NOVEL FLAVANONE DERIVATIVE National University Corporation Okayama University (JP) 2012-06-06 EP 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-20120202980-A1 Novel Flavanone Derivative GALE, VRK1, GALK1 ALDH1A1 817/4885NR4A1 1103/4885NR4A2 1238/4885

“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.