SCHEMBL769224

SCHEMBL769224

[c]1ccc(-c2ccco2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 4/20 0.43
HSD17B10 Q99714 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
BLM P54132 3/20 0.43
PKM P14618 2/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 2/20 0.43
PTPN7 P35236 2/20 0.43
RECQL P46063 2/20 0.43
CASP7 P55210 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL769225 0.80
SCHEMBL1799678 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL11974601 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL11974595 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL11974596 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL11974594 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL11974592 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL11974593 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL17951449 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL25757 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
WO-2017064243-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN GAS SENSORS BASF SE (DE) 2017-04-20 WO disclosed
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 US disclosed
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B ALDH1A1 761/4885KDM4E 2337/4885HPGD 2988/4885

“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.