SCHEMBL4418032

SCHEMBL4418032

NNC(=O)CCc1ccco1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.48
ALDH1A1 P00352 7/20 0.47
POLB P06746 4/20 0.47
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PTPN7 P35236 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.45
EPHX2 P34913 1/20 0.42

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
SCHEMBL9293207 0.82 ALDH1A1 (0.49) NTRK1ALDH1A1POLBHPGDL3MBTL1
SCHEMBL15128605 0.80 ALDH1A1 (0.48) NTRK1ALDH1A1POLBHPGDL3MBTL1
SCHEMBL8448644 0.80 CHRM2 (0.54) ALDH1A1POLBHPGDL3MBTL1MAPT
SCHEMBL1326250 0.79 ALOX5 (0.53) NTRK1ALDH1A1POLBHPGDL3MBTL1
SCHEMBL8440662 0.79 ALDH1A1 (0.60) ALDH1A1POLBHPGDL3MBTL1MAPT
SCHEMBL11011624 0.79 ALDH1A1 (0.48) NTRK1ALDH1A1POLBHPGDL3MBTL1
SCHEMBL26345018 0.78 ALDH1A1 (0.49) NTRK1ALDH1A1POLBHPGDL3MBTL1
SCHEMBL3992133 0.78 MAPT (0.60) NTRK1ALDH1A1POLBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL5352595 0.78 ALOX5 (0.51) NTRK1ALDH1A1POLBHPGDL3MBTL1
SCHEMBL8446606 0.78 POLB (0.59) ALDH1A1POLBHPGDL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541802-B1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-01 EP disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP 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-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR NTRK1 864/4885ALDH1A1 2364/4885POLB 4064/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR NTRK1 864/4885ALDH1A1 2364/4885POLB 4064/4885

“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.