SCHEMBL22551371

SCHEMBL22551371

COc1ccc(C(=C/C=N/O)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
GFER P55789 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
NR1I2 O75469 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PARP1 P09874 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
SCHEMBL22551372 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL9815845 0.83 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL22551357 0.83 NQO2 (0.50) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL22551359 0.83 NQO2 (0.50) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8561542 0.80 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL10685379 0.76 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8564034 0.76 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDCES2
SCHEMBL7056287 0.76 CES2 (0.62) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL16926001 0.76 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6937356 0.74 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725782-B1 NOVEL METHOD FOR PRODUCING 5,5-DISUBSTITUTED-4,5-DIHYDROISOXAZOLE KUMIAI CHEMICAL INDUSTRY CO (JP) 2022-06-22 EP disclosed
US-10975041-B2 Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-04-13 US disclosed
US-20210047280-A1 NOVEL METHOD FOR PRODUCING 5, 5-DISUBSTITUTED-4, 5-DIHYDROISOXAZOLE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-02-18 US disclosed
EP-3725782-A1 NOVEL METHOD FOR PRODUCING 5,5-DISUBSTITUTED-4,5-DIHYDROISOXAZOLE Kumiai Chemical Industry Co., Ltd. (JP) 2020-10-21 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-20210047280-A1 NOVEL METHOD FOR PRODUCING 5, 5-DISUBSTITUTED-4, 5-DIHYDROISOXAZOLE CYP3A5, CYP4X1, SQLE ALDH1A1 185/4885MAPT 4089/4885KDM4E 2024/4885
US-10975041-B2 Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole CYP3A5, CYP4X1, SQLE ALDH1A1 149/4885MAPT 3439/4885KDM4E 1721/4885

“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.