SCHEMBL21999255

SCHEMBL21999255

CCCOC(=O)/C=C\C#N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.59
ATM Q13315 1/20 0.52
APP P05067 5/20 0.42
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL167356 1.00 HCAR2 (0.59) HCAR2ATMAPPALOX5MAPT
Propionic Acid SCHEMBL28030239 0.93 HCAR2 (0.56) HCAR2ATMAPPALOX5MAPT
SCHEMBL4888226 0.89 HCAR2 (0.47) HCAR2ATMAPPALOX5MAPT
SCHEMBL4888287 0.89 HCAR2 (0.47) HCAR2ATMAPPALOX5MAPT
SCHEMBL24797 0.88 ATM (0.70) HCAR2ATMAPPMAPTRAB9A
SCHEMBL1452125 0.86 HCAR2 (0.62) HCAR2ATMAPPMAPTRAB9A
SCHEMBL4892566 0.86 ATM (0.52) HCAR2ATMAPPALOX5MAPT
SCHEMBL29341 0.85 HCAR2 (0.64) HCAR2ATMAPPMAPTRAB9A
SCHEMBL3457992 0.85 HCAR2 (0.64) HCAR2ATMAPPMAPTRAB9A
SCHEMBL15229292 0.85 HCAR2 (0.64) HCAR2ATMAPPMAPTRAB9A

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-11046762-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2021-06-29 US disclosed
US-20200148764-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2020-05-14 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-20200148764-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA HCAR2 824/4885ATM 3528/4885APP 3098/4885
US-11046762-B2 Cross-linkers and their uses MTCL3, DCLRE1A, PCNA HCAR2 824/4885ATM 3528/4885APP 3098/4885

“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.