SCHEMBL23489133

SCHEMBL23489133

CCC(=O)OCC(C#N)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL31186840 0.82 MAPT (0.34) ALDH1A1BLMTSHRMAPTLMNA
SCHEMBL31186843 0.82 MAPT (0.34) ALDH1A1BLMTSHRMAPTLMNA
SCHEMBL28400441 0.77 TDP1 (0.42) ALDH1A1HPGDTSHRMAPTLMNA
SCHEMBL2343529 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8152060 0.76 NAAA (0.33) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL24503497 0.76 TSHR (0.30) TSHR
SCHEMBL31186838 0.76 SMN1; SMN2 (0.31)
SCHEMBL2343532 0.75
Hydrochloric Acid SCHEMBL6497169 0.73
SCHEMBL6497167 0.73 ALDH1A1 (0.30) ALDH1A1

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-20210170045-A1 RELEASABLE ANTIBODY CONJUGATES FISH & RICHARDSON PC 2021-06-10 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-20210170045-A1 RELEASABLE ANTIBODY CONJUGATES BCR, CD47, RNASE1 NAAA 2579/4885ALDH1A1 263/4885CYP1A2 3089/4885

“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.