SCHEMBL13637612

SCHEMBL13637612

NC(=O)c1ccc(C=O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 7/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
PRNP P04156 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.41
POLB P06746 4/20 0.40
CSF1R P07333 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
PLA2G10 O15496 1/20 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
Methane SCHEMBL16742564 0.98 ALDH1A1 (0.44) ALDH1A1TSHRKDM4ELMNAHPGD
Urea SCHEMBL23160877 0.81 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL20830186 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAHPGDPRNP
SCHEMBL17664006 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAHPGDPRNP
SCHEMBL86396 0.80 KDM4E (0.52) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL17495564 0.80 KDM4E (0.52) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL13524319 0.78 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL3384529 0.78 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL28611785 0.78 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL11805964 0.78 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11066398-B2 Small molecule c-Myc inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2021-07-20 US disclosed
EP-3257845-A1 PREPARATION OF 2,5-FURANDICARBOXYLIC ACID BY OXIDATION OF 5-(ACETOXYMETHYL)FURFURAL IN THE PRESENCE OF A BROMIDE, OXYGEN AND A COBALT(II) OR CERIUM(III) CATALYST Archer Daniels Midland Company (US) 2017-12-20 EP disclosed
CN-106456616-A Small molecule C-Myc inhibitors 斯克利普斯研究院 2017-02-22 CN disclosed
EP-3082812-A1 SMALL MOLECULE C-MYC INHIBITORS The Scripps Research Institute (US) 2016-10-26 EP disclosed
US-20160264560-A1 SMALL MOLECULE C-MYC INHIBITORS SORRENTO THERAPEUTICS, INC. 2016-09-15 US disclosed
US-20150368411-A1 POLYMERS, SUBSTRATES, METHODS FOR MAKING SUCH, AND DEVICES COMPRISING THE SAME AVERTICA INC. 2015-12-24 US disclosed
WO-2015089180-A1 SMALL MOLECULE C-MYC INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-18 WO disclosed
EP-2548902-A1 Composition and method for improving adhesion of textile substrates to rubber and articles resulting therefrom Milliken & Company (US) 2013-01-23 EP disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 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-20160264560-A1 SMALL MOLECULE C-MYC INHIBITORS MYC, MYCBP, MYCBP2 ALDH1A1 3976/4885TSHR 4300/4885KDM4E 931/4885
US-11066398-B2 Small molecule c-Myc inhibitors MYC, MYCBP, MYCBP2 ALDH1A1 3976/4885TSHR 4300/4885KDM4E 931/4885

“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.