SCHEMBL3625544

SCHEMBL3625544

ICCCCCCCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
ALOX12 P18054 1/20 0.67
CASP1 P29466 1/20 0.67
HSD17B10 Q99714 1/20 0.67
SIGMAR1 Q99720 11/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 2/20 0.54
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8500856 1.00 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL282602 1.00 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6379725 1.00 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11777969 1.00 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6680538 1.00 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL2112457 1.00 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6683681 1.00 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL445067 0.97 ALDH1A1 (0.70) ALDH1A1HPGDALOX15ALOX12CASP1
Iodide SCHEMBL8499688 0.95 ALDH1A1 (0.61) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrochloric Acid SCHEMBL28408129 0.95 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858650-B2 Medicinal composition for inhalation ONO PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20080114043-A1 Medicinal Composition for Inhalation ONO PHARMACEUTICAL CO., LTD (JP) 2008-05-15 US disclosed
EP-1806148-A1 MEDICINAL COMPOSITION FOR INHALATION ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 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 (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-20080114043-A1 Medicinal Composition for Inhalation PTGER2, PTGER1, PTGIS ALDH1A1 2576/4885HPGD 27/4885ALOX15 118/4885

“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.