SCHEMBL21900580

SCHEMBL21900580

Cc1ccc(COCCOCCC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
AGXT P21549 2/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
MAOB P27338 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL22266190 0.83 TSHR (0.48) PARP10RAB9ANPC1ALDH1A1MAPK1
SCHEMBL13870217 0.81 L3MBTL1 (0.58) PARP10RAB9ANPC1AGXTCA2
SCHEMBL20314597 0.81 POLB (0.49) PARP10RAB9ANPC1AGXTMAPT
SCHEMBL12270447 0.80 AGXT (0.58) RAB9ANPC1AGXTCA2CA1
SCHEMBL8802965 0.79 CYP2C9 (0.49) RAB9ANPC1AGXTCA2CA1
SCHEMBL906396 0.79 TSHR (0.52) PARP10RAB9ANPC1ALDH1A1MAPK1
SCHEMBL21664684 0.79 RAB9A (0.54) PARP10RAB9ANPC1AGXTCA2
SCHEMBL16682541 0.77 AGXT (0.47) RAB9ANPC1AGXTCA2CA1
SCHEMBL16449107 0.77 AGXT (0.47) RAB9ANPC1AGXTCA2CA1
SCHEMBL16682540 0.77 AGXT (0.52) PARP10RAB9ANPC1AGXTCA2

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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN PARP10 2047/4885RAB9A 3451/4885NPC1 3757/4885

“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.