SCHEMBL4810962

SCHEMBL4810962

CC(C)(C)NC(=O)CCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
DUT P33316 1/20 0.41
HPGD P15428 1/20 0.41
CAMK2A Q9UQM7 1/20 0.40
RECQL P46063 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 2/20 0.36
HDAC2 Q92769 1/20 0.36
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
APAF1 O14727 1/20 0.34
GRK2 P25098 1/20 0.34
DNMT1 P26358 1/20 0.34
PTPN7 P35236 1/20 0.34

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
SCHEMBL9116620 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2DUTHPGDRECQL
SCHEMBL3902712 0.85 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2DUTHPGDRECQL
SCHEMBL23772645 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DUTHPGDRECQL
SCHEMBL23772642 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DUTHPGDRECQL
SCHEMBL11522117 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDCAMK2ARECQL
SCHEMBL19171550 0.82 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2DUTHPGDNPC1
SCHEMBL9462903 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2DUTHPGDHRH3
SCHEMBL19500461 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2DUTHPGDRECQL
SCHEMBL23176207 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2DUTHPGDRECQL
SCHEMBL9462966 0.79 ALDH1A1 (0.61) ALDH1A1HRH3

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
US-8361753-B2 Phosphotriester-modified oligonucleotide primers for nucleic acid amplification TRILINK BIOTECHNOLOGIES, INC. (US) 2013-01-29 US disclosed
EP-2032714-B1 CHEMICALLY MODIFIED OLIGONUCLEOTIDE PRIMERS FOR NUCLEIC ACID AMPLIFICATION TRILINK BIOTECHNOLOGIES (US) 2011-03-16 EP disclosed
US-7355037-B2 Thermolabile hydroxyl protecting groups and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-08 US disclosed
US-20050020827-A1 Thermolabile hydroxyl protecting groups and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-01-27 US disclosed
US-6762298-B2 DEPROTECTING AN OLIGONUCLEOTIDE BY HEATING IN A FLUID, WHERE THE PHOSPHORUS ATOM IS O-PROTECTED WITH A THERMOLABILE GROUP SUCH AS (PYRROLIDIN-1-ONE-1-YL)ALKYL; SYNTHESIS OF OLIGONUCLEOTIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-07-13 US disclosed
WO-2003048179-A2 THERMOLABILE HYDROXYL PROTECTING GROUPS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-12 WO disclosed
US-20010044529-A1 Thermolabile phosphorus protecting groups, associated intermediates and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-11-22 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 (2 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-20050020827-A1 Thermolabile hydroxyl protecting groups and methods of use ADH1A, NR2C2, NR1H2 ALDH1A1 200/4885SMN1; SMN2 4139/4885DUT 1597/4885
US-20010044529-A1 Thermolabile phosphorus protecting groups, associated intermediates and methods of use POLR2H, POLL, POLR1A ALDH1A1 1410/4885SMN1; SMN2 1214/4885DUT 147/4885

“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.