SCHEMBL5381406

SCHEMBL5381406

OB(OCCCc1ccccc1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
LMNA P02545 1/20 0.45
FFAR1 O14842 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL17333155 0.87 IDO1 (0.55) IDO1LMNAFFAR1CA1CA2
SCHEMBL3729896 0.81 LTA4H (0.50) DRD2DRD3RECQLLTA4HSLC6A3
Boric Acid SCHEMBL28209851 0.79 LTA4H (0.49) DRD2DRD3RECQLLTA4HSLC6A3
SCHEMBL4849454 0.79 LTA4H (0.50) LMNADRD2DRD3SMN1; SMN2LTA4H
SCHEMBL28346397 0.78 ALDH1A1 (0.52) CA1CA2RECQLLTA4HHDAC1
SCHEMBL27492197 0.78 TSHR (0.43) IDO1LMNACA1CA2HDAC6
SCHEMBL4858379 0.78 LTA4H (0.49) LMNADRD2DRD3SMN1; SMN2LTA4H
SCHEMBL4859393 0.78 LTA4H (0.49) LMNADRD2DRD3SMN1; SMN2LTA4H
SCHEMBL28853194 0.78 LTA4H (0.49) LMNADRD2DRD3SMN1; SMN2LTA4H
SCHEMBL4859270 0.78 LTA4H (0.49) LMNADRD2DRD3SMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP claimed
US-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2012-12-13 US disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 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 (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-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) CHAT, ACHE, BCHE IDO1 1286/4885LMNA 2851/4885FFAR1 2900/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 IDO1 2749/4885LMNA 4015/4885FFAR1 907/4885

“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.