SCHEMBL8867945

SCHEMBL8867945

O=C[CH]NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.68
ADH1C P00326 1/20 0.68
ADH1A P07327 1/20 0.68
ADH7 P40394 1/20 0.68
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MAOA P21397 1/20 0.45
IDO1 P14902 2/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 3/20 0.43
CHRM2 P08172 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL27354 0.81 ADH1B (1.00) ADH1BADH1CADH1AADH7KMT2A
Hydrochloric Acid SCHEMBL3741186 0.79 ADH1B (0.95) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL28140348 0.78 ADH1B (0.63) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL27357713 0.78 CA2 (0.44) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL10772295 0.77 ADH1B (0.56) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL29798082 0.75 ADH1B (0.65) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL8713797 0.75 ADH1B (0.65) ADH1BADH1CADH1AADH7KMT2A
Sulfuric Acid SCHEMBL11477035 0.72 ADH1B (0.80) ADH1BADH1CADH1AADH7KMT2A
Catechol SCHEMBL27790303 0.72 ADH1B (0.80) ADH1BADH1CADH1AADH7KMT2A
Benzene SCHEMBL11697595 0.72 MEN1 (0.78) ADH1BADH1CADH1AADH7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US claimed
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-2999338-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2016-03-30 EP disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 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 (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-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, ACHE, NISCH ADH1B 2461/4885ADH1C 839/4885ADH1A 2777/4885

“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.