SCHEMBL20438201

SCHEMBL20438201

CC/C(C)=C/C=C(\C)CC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.31
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLO1 Q04760 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL20438202 0.78 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL20438204 0.78 MGAM (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL6965002 0.78
SCHEMBL14314040 0.74 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL24258378 0.74 ALDH1A1 (0.35) ALDH1A1TDP1LMNA
SCHEMBL11163492 0.74 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL1353039 0.74 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL1353040 0.74 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL20003579 0.73
SCHEMBL14536747 0.71

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-20180215743-A1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-08-02 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-20180215743-A1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HDAC1, HDAC6, HDAC2 MGAM 2234/4885GAA 274/4885SI 283/4885

“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.