SCHEMBL21593779

SCHEMBL21593779

CCOCCNC(=O)/C=C/c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
RAB9A P51151 2/20 0.68
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 2/20 0.64
EGFR P00533 1/20 0.63
MMP1 P03956 2/20 0.60
MMP2 P08253 2/20 0.60
MMP9 P14780 2/20 0.60
POLB P06746 1/20 0.60
RECQL P46063 1/20 0.60
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL8741412 0.86 EGFR (0.73) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL24090247 0.86 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL2385951 0.86 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL7667479 0.86 PLAAT5 (0.62) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL22881963 0.86 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL12253197 0.85 SMN1; SMN2 (0.71) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL28539181 0.84 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL28539180 0.84 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL16260615 0.83 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR
SCHEMBL15978907 0.83 KMT2A (0.51) SMN1; SMN2RAB9AKMT2AALDH1A1EGFR

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-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-07-08 US disclosed
WO-2019238091-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2019-12-19 WO 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-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF TET2, ZFX, ZFR SMN1; SMN2 1621/4885RAB9A 3127/4885KMT2A 249/4885

“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.