SCHEMBL4182248

SCHEMBL4182248

C=C(C)CN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
EGFR P00533 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
GSTO1 P78417 1/20 0.39
MAPT P10636 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
NR1D1 P20393 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL27730480 0.85 HPGD (0.55) CASRALDH1A1HPGDOPRM1OPRD1
SCHEMBL11077650 0.84 EGFR (0.55) CTSSCTSKEGFRALDH1A1HPGD
SCHEMBL9745423 0.84 CASR (0.43) CASRCTSSCTSKALDH1A1HPGD
SCHEMBL9743559 0.84 CASR (0.43) CASRCTSSCTSKALDH1A1HPGD
SCHEMBL4177603 0.83 TSHR (0.46) CASRCTSSCTSKEGFRALDH1A1
SCHEMBL29172972 0.77 HPGD (0.64) EGFRALDH1A1HPGDOPRM1OPRD1
SCHEMBL7573934 0.76 HPGD (0.56) CTSSEGFRALDH1A1HPGDMAPT
SCHEMBL29173000 0.75 CTSS (0.58) CTSSCTSKEGFRALDH1A1HPGD
SCHEMBL7117687 0.75 CA14 (0.36) HDAC1HDAC2HDAC6
SCHEMBL28498816 0.74 EGFR (0.47) CTSSCTSKEGFRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
EP-1930315-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & COMPANY, LTD. (JP) 2008-06-11 EP 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-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF AADAT, BCAT2, BCAT1 CASR 4615/4885CTSS 4733/4885CTSK 4721/4885

“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.