SCHEMBL1679242

SCHEMBL1679242

CN(C=O)C1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 12/20 1.00
▸ ADH1C P00326 9/20 1.00
▸ ADH1B P00325 3/20 0.52
▸ ADH4 P08319 3/20 0.50
▸ FAAH O00519 1/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ ADH7 P40394 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 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
SCHEMBL1678872 1.00 ADH1A (1.00) ADH1AADH1CADH1BADH4FAAH
SCHEMBL772457 1.00 ADH1A (1.00) ADH1AADH1CADH1BADH4FAAH
SCHEMBL772996 0.97 — —
SCHEMBL967159 0.95 — —
SCHEMBL308431 0.86 — —
Ethyne SCHEMBL20506470 0.81 — —
SCHEMBL13744423 0.77 ADH1A (0.62) ADH1AADH1CADH1BADH4TSHR
Bicarbonate SCHEMBL10721946 0.77 ADH1A (0.62) ADH1AADH1CADH1BADH4TSHR
SCHEMBL24230521 0.75 ADH1A (0.60) ADH1AADH1CADH1BADH4TSHR
SCHEMBL772050 0.75 ADH1A (0.60) ADH1AADH1CADH1BADH4TSHR

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-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 — — US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 — — EP disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 — — US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 — — US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 — — US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 — — EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 — — EP disclosed
EP-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 — — 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 (3 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI ADH1A 4118/4885ADH1C 4567/4885ADH1B 2487/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD ADH1A 1349/4885ADH1C 1360/4885ADH1B 772/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 ADH1A 2316/4885ADH1C 3082/4885ADH1B 998/4885

“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.

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