SCHEMBL24534874

SCHEMBL24534874

C/C=C1/N=C(c2cccc(OC)c2)OC1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.74
HPGD P15428 1/20 0.74
RAB9A P51151 1/20 0.74
DAPK3 O43293 3/20 0.65
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TNNI3 P19429 1/20 0.55
CRHBP P24387 1/20 0.55
TNNT2 P45379 1/20 0.55
TNNC1 P63316 1/20 0.55
CRHR2 Q13324 1/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.45
NOTUM Q6P988 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HDAC4 P56524 1/20 0.43

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
SCHEMBL29518232 0.80 ALDH1A1 (0.73) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL22505301 0.80 ALDH1A1 (0.73) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL24534483 0.79 HPGD (0.61) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL6799713 0.79 POLB (0.71) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL6799710 0.79 POLB (0.71) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL7658774 0.78 NPC1 (0.60) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL7658770 0.78 NPC1 (0.60) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL21217197 0.78 SMN1; SMN2 (0.68) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL12914553 0.78 SMN1; SMN2 (0.68) NPC1HPGDRAB9ADAPK3MEN1
SCHEMBL24534666 0.77 ALOX5 (0.64) NPC1HPGDRAB9AMEN1KMT2A

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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT Yonsei University, University - Industry Foundation (UIF) (KR) 2022-06-23 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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT EPX, CFTR, MPO NPC1 47/4885HPGD 287/4885RAB9A 834/4885

“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.