SCHEMBL6128587

SCHEMBL6128587

C=CCOC(=O)C=CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
APP P05067 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
HTT P42858 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
SCHEMBL6128586 1.00 MAPT (0.50) MAPTCACNA1BAPBA1APPTDP1
SCHEMBL36140 0.80 MAPT (0.69) MAPTCACNA1BAPBA1APPTDP1
SCHEMBL36375 0.80 MAPT (0.69) MAPTCACNA1BAPBA1APPTDP1
SCHEMBL36139 0.80 MAPT (0.69) MAPTCACNA1BAPBA1APPTDP1
SCHEMBL6885967 0.80 MAPT (0.69) MAPTCACNA1BAPBA1APPTDP1
Acetone SCHEMBL11807103 0.79 MAPT (0.62) MAPTCACNA1BAPBA1APPTDP1
SCHEMBL21126304 0.79 ATM (0.46) MAPTTDP1TSHRKMT2AALDH1A1
Acetone SCHEMBL11807108 0.79 MAPT (0.62) MAPTCACNA1BAPBA1APPTDP1
SCHEMBL9615428 0.78 MAPT (0.49) MAPTCACNA1BAPBA1APPTDP1
SCHEMBL7809914 0.78 MAPT (0.67) MAPTCACNA1BAPBA1APPTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194336-A None JP disclosed
JP-4134055-A None JP disclosed
US-20120129884-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2012-05-24 US disclosed
JP-H05194336-A AMINOACRYLIC ACID DERIVATIVE KYORIN PHARMACEUT CO LTD 1993-08-03 JP disclosed
JP-H04134055-A DIALKYLAMINOACRYLIC ACID ALLYL ESTER AND PRODUCTION THEREOF UBE IND LTD 1992-05-07 JP 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-20120129884-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY PCNA, ERCC4, UBQLN2 MAPT 2884/4885CACNA1B 3939/4885APBA1 1823/4885

“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.