SCHEMBL14788383

SCHEMBL14788383

C#CC(=O)N(c1cc(OC)c(OC)c(OC)c1)C(C(=O)NC1CCCC1)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ GPX4 P36969 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL12639687 0.91 POLB (0.67) POLBGPX4CYP1A2CYP3A4CYP2D6
SCHEMBL12639684 0.87 SMN1; SMN2 (0.61) POLBGPX4CYP1A2CYP3A4CYP2D6
SCHEMBL12639504 0.87 MAPT (0.60) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12639686 0.86 POLB (0.53) POLBGPX4CYP1A2CYP3A4CYP2D6
SCHEMBL12639691 0.86 POLB (0.54) POLBGPX4CYP1A2CYP3A4CYP2D6
SCHEMBL12639437 0.84 MEN1 (0.53) POLBGPX4CYP1A2CYP3A4CYP2D6
SCHEMBL12639715 0.83 TDP1 (0.59) POLBCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12639502 0.82 SMN1; SMN2 (0.66) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14788382 0.81 ALDH1A1 (0.51) POLBGPX4SMN1; SMN2MEN1KMT2A
SCHEMBL12639406 0.81 MEN1 (0.54) POLBCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — 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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 POLB 3598/4885GPX4 2413/4885CYP1A2 3618/4885

“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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