SCHEMBL5983906

SCHEMBL5983906

CCCCCC(C)NCC#N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
TSHR P16473 1/20 0.42
ADRB2 P07550 8/20 0.40
OPRM1 P35372 1/20 0.39
CA1 P00915 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL5595842 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5984063 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL5595864 0.98 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL5595465 0.98 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL5595469 0.98 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5983626 0.84
SCHEMBL5983630 0.84
SCHEMBL5595515 0.82 TSHR (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5595472 0.82 TSHR (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5595467 0.82 TSHR (0.48) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US claimed
JP-2002507591-A 2002-03-12 JP claimed
CN-1299342-A Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2001-06-13 CN claimed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP claimed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 WO claimed
CN-111057024-B Sydney ketone and Sydney ketimine compound, and preparation method and application thereof 华东理工大学 2025-02-07 CN disclosed
US-6984754-B1 Aliphatic amino carboxylic and amino phosphonic acids amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2006-01-10 US disclosed
CN-1213999-C Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2005-08-10 CN disclosed
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US disclosed
CN-1299342-A Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2001-06-13 CN disclosed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP disclosed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 WO 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-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents CHAMP1, PYCR1, PRMT5 ADH1B 4633/4885ADH1C 4528/4885ADH1A 4704/4885

“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.