SCHEMBL5753409

SCHEMBL5753409

COc1ccc(/C=C2/CCCNC2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
EGFR P00533 5/20 0.58
DYRK1A Q13627 3/20 0.58
DYRK1B Q9Y463 2/20 0.58
CLK1 P49759 2/20 0.58
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PIM1 P11309 1/20 0.53
AKR1B1 P15121 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
METAP1 P53582 1/20 0.50
PABPC1 P11940 1/20 0.49
APOBEC3A P31941 1/20 0.49

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
SCHEMBL5753412 1.00 CYP1A2 (0.67) CYP1A2EGFRDYRK1ADYRK1BCLK1
SCHEMBL17693074 0.80 CYP1A2 (1.00) CYP1A2EGFRDYRK1ADYRK1BCLK1
SCHEMBL7842660 0.80 PABPC1 (0.61) CYP1A2EGFRDYRK1ADYRK1BCLK1
SCHEMBL809541 0.79 CYP1A2 (0.78) CYP1A2EGFRDYRK1ADYRK1BCLK1
SCHEMBL624586 0.79 CYP1A2 (0.73) CYP1A2EGFRDYRK1ADYRK1BCLK1
SCHEMBL1524447 0.79 CYP1A2 (0.78) CYP1A2EGFRDYRK1ADYRK1BCLK1
SCHEMBL13299359 0.79 CYP1A2 (0.73) CYP1A2EGFRDYRK1ADYRK1BCLK1
SCHEMBL3258032 0.79 CYP1A2 (0.73) CYP1A2EGFRDYRK1ADYRK1BCLK1
SCHEMBL5753271 0.79 HSD11B1 (0.64) CYP1A2EGFRMAPTNPC1RAB9A
SCHEMBL812347 0.79 CYP1A2 (0.78) CYP1A2EGFRDYRK1ADYRK1BCLK1

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
EP-1485351-A4 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS BRISTOL MYERS SQUIBB CO (US) 2006-05-03 EP disclosed
US-7015320-B2 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-21 US disclosed
EP-1485351-A2 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS Bristol-Myers Squibb Company (US) 2004-12-15 EP disclosed
US-20040010139-A1 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams BRISTOL-MYERS SQUIBB COMPANY 2004-01-15 US disclosed
WO-2003079975-A2 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-02 WO 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-20040010139-A1 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams MRPL21, LAS1L, OXA1L CYP1A2 1053/4885EGFR 521/4885DYRK1A 3450/4885

“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.