SCHEMBL10285238

SCHEMBL10285238

O=CCC(=O)c1nccs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
PLA2G4A P47712 3/20 0.46
CES1 P23141 1/20 0.45
RBBP9 O75884 4/20 0.35
TBXAS1 P24557 1/20 0.35
EPHX2 P34913 1/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
PLA2G7 Q13093 1/20 0.34
HSPA9 P38646 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ACP1 P24666 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL12549113 0.79 ALDH1A1 (0.50) ALDH1A1PLA2G4ACES1RBBP9PLA2G7
SCHEMBL27690636 0.78
SCHEMBL28541589 0.77 PLA2G4A (0.58) ALDH1A1PLA2G4ACES1RBBP9TBXAS1
SCHEMBL13116460 0.76
SCHEMBL6405593 0.76
SCHEMBL8755650 0.76
SCHEMBL4809493 0.76
SCHEMBL3504222 0.76
SCHEMBL230444 0.76
SCHEMBL27506598 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586201-B2 Light-emitting element and iridium complex CHIMEI INNOLUX CORPORATION (TW) 2013-11-19 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100141133-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX CHI MEI OPTOELECTRONICS CORP. (TW) 2010-06-10 US disclosed
US-20100141133-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX CHI MEI OPTOELECTRONICS CORP. (TW) 2010-06-10 US disclosed
US-20070141394-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX CHI MEI OPTOELECTRONICS CORP. (TW) 2007-06-21 US disclosed
US-20070141394-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX CHI MEI OPTOELECTRONICS CORP. (TW) 2007-06-21 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 (2 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 ALDH1A1 2925/4885PLA2G4A 4413/4885CES1 3320/4885
US-20100141133-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX AP3D1, INF2, CRY1 ALDH1A1 2042/4885PLA2G4A 4174/4885CES1 3749/4885

“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.