SCHEMBL17037232

SCHEMBL17037232

CC(=O)c1coc(-c2ccc(OC(F)F)c(OCc3ccccc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
PTGER1 P34995 2/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
MCL1 Q07820 2/20 0.39
SMPD1 P17405 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17243833 0.92 PTPN1 (0.44) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL19066414 0.90 KDM4E (0.43) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL17037226 0.88 ALDH1A1 (0.52) CA9KDM4EALDH1A1TSHRHSD17B10
SCHEMBL17037215 0.87 KDM4E (0.45) CA9KDM4EALDH1A1TSHRHSD17B10
SCHEMBL17037220 0.86 DHODH (0.49) CA9KDM4EALDH1A1TSHRHSD17B10
SCHEMBL17037222 0.85 DHODH (0.42) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL17037230 0.82 TSHR (0.41) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL28238622 0.82 KDM4E (0.43) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL17037213 0.82 HDAC1 (0.39) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL4271329 0.81 TSHR (0.40) KDM4EALDH1A1TSHRHSD17B10MAPT

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-9181205-B2 Method for producing oxazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20150239855-A1 Method for Producing Oxazole Compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-27 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-20150239855-A1 Method for Producing Oxazole Compound OXA1L, CYB5R3, CBR3 CA9 206/4885KDM4E 1373/4885ALDH1A1 673/4885

“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.