SCHEMBL19602913

SCHEMBL19602913

COc1ccc(-c2c(C)noc2-c2cc(CCC(C)(C)OC(C)=O)c(OCc3ccccc3)cc2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
ALOX5AP P20292 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
MAPT P10636 1/20 0.38
AKR1C3 P42330 4/20 0.38
FFAR1 O14842 3/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL2948361 0.80 CSNK2A2 (0.46) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL11994492 0.79 ALOX5 (0.48) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL2940825 0.79 SMN1; SMN2 (0.48) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL2940892 0.78 HDAC8 (0.47) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL2940893 0.78 HDAC8 (0.47) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL2939968 0.78 SMN1; SMN2 (0.46) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL12939004 0.76 ALOX5 (0.46) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL12939026 0.76 HDAC8 (0.45) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL12939000 0.75 SMN1; SMN2 (0.46) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL2946710 0.74 SMN1; SMN2 (0.43) ALOX5ALOX5APSMN1; SMN2CSNK2A2CSNK2A1

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-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 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-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P ALOX5 2909/4885ALOX5AP 3670/4885SMN1; SMN2 2928/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P ALOX5 2892/4885ALOX5AP 3660/4885SMN1; SMN2 2968/4885

“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.