SCHEMBL1684079

SCHEMBL1684079

O=C[C@@H]1CCCC[C@@H](C=O)CC1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 10/20 0.36
ADH1C P00326 8/20 0.36
ADH1B P00325 4/20 0.36
ADH7 P40394 3/20 0.36
ADH4 P08319 3/20 0.35

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
SCHEMBL1684061 1.00 ADH1A (0.36) ADH1AADH1CADH1BADH7ADH4
SCHEMBL1684060 1.00 ADH1A (0.36) ADH1AADH1CADH1BADH7ADH4
SCHEMBL1684081 1.00 ADH1A (0.36) ADH1AADH1CADH1BADH7ADH4
SCHEMBL887214 0.97 ADH1A (0.41) ADH1AADH1CADH1BADH7ADH4
SCHEMBL7533798 0.97 ADH1A (0.39) ADH1AADH1CADH1BADH7ADH4
Cyclopentanecarbaldehyde SCHEMBL26171 0.96
Cycloheptane Carbaldehyde SCHEMBL95620 0.93
SCHEMBL329469 0.93 ADH1A (0.41) ADH1AADH1CADH1BADH7ADH4
SCHEMBL59918 0.93 ADH1A (0.41) ADH1AADH1CADH1BADH7ADH4
Cyclononanecarbaldehyde SCHEMBL1920808 0.93 ADH1A (0.41) ADH1AADH1CADH1BADH7ADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200957-B2 HYDROGENATION OF ALICYCLIC DIALDEHYDES TO ALICYCLIC DIOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-14 EP claimed
EP-2200957-B1 HYDROGENATION OF ALICYCLIC DIALDEHYDES TO ALICYCLIC DIOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-26 EP claimed
US-8304583-B2 Hydrogenation of aliphatic dialdehydes to aliphatic diols DOW GLOBAL TECHNOLOGIES LLC 2012-11-06 US claimed
US-20110098514-A1 HYDROGENATION OF ALIPHATIC DIALDEHYDES TO ALIPHATIC DIOLS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2011-04-28 US claimed
EP-2200957-A2 HYDROGENATION OF ALIPHATIC DIALDEHYDES TO ALIPHATIC DIOLS Dow Global Technologies Inc. (US) 2010-06-30 EP claimed
WO-2009035838-A2 HYDROGENATION OF ALIPHATIC DIALDEHYDES TO ALIPHATIC DIOLS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-19 WO claimed
EP-2200957-B2 HYDROGENATION OF ALICYCLIC DIALDEHYDES TO ALICYCLIC DIOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-14 EP disclosed
EP-2200957-B1 HYDROGENATION OF ALICYCLIC DIALDEHYDES TO ALICYCLIC DIOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-26 EP disclosed
US-8304583-B2 Hydrogenation of aliphatic dialdehydes to aliphatic diols DOW GLOBAL TECHNOLOGIES LLC 2012-11-06 US disclosed
EP-2348015-A2 PREPARATION OF CYANO-ALIPHATIC ALDEHYDES Dow Global Technologies LLC (US) 2011-07-27 EP disclosed
US-20110098514-A1 HYDROGENATION OF ALIPHATIC DIALDEHYDES TO ALIPHATIC DIOLS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2011-04-28 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-20110098514-A1 HYDROGENATION OF ALIPHATIC DIALDEHYDES TO ALIPHATIC DIOLS ADH1C, ADH1A, DHCR24 ADH1A 2/4885ADH1C 1/4885ADH1B 18/4885

“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.