SCHEMBL19084456

SCHEMBL19084456

C=C(C)C[C@H](NC(=O)OCCCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.39
ACHE P22303 7/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7208796 0.87 GRN (0.43) ALDH1A1EPHX1ACHETSHRHPGD
SCHEMBL7008178 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1ALDH1A1EPHX1ACHE
SCHEMBL19727092 0.79 CAD (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8593917 0.78 KMT2A (0.43) SMN1; SMN2MAPK1ALDH1A1EPHX1ACHE
SCHEMBL31757805 0.78 CYP1A2 (0.57) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL7006306 0.77 KMT2A (0.49) SMN1; SMN2MAPK1L3MBTL1
SCHEMBL14744557 0.77 KMT2A (0.64) SMN1; SMN2MAPK1ALDH1A1EPHX1ACHE
SCHEMBL6168369 0.77 KMT2A (0.49) SMN1; SMN2MAPK1L3MBTL1
SCHEMBL13059741 0.77 CYP1A2 (0.49) SMN1; SMN2MAPK1ALDH1A1EPHX1ACHE
SCHEMBL8803967 0.76 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1ALDH1A1EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362209-A1 PYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2017-12-21 US disclosed
US-20170190715-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2017-07-06 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-20170362209-A1 PYRIDINE DERIVATIVES LAP3, PREP, DNPEP SMN1; SMN2 4624/4885MAPK1 4281/4885ALDH1A1 240/4885
US-20170190715-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP SMN1; SMN2 4567/4885MAPK1 4390/4885ALDH1A1 360/4885

“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.