SCHEMBL4561898

SCHEMBL4561898

CC(C)(O)C(=O)c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.40
ERBB2 P04626 4/20 0.40
ALDH1A1 P00352 3/20 0.38
MLYCD O95822 6/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESRRG P62508 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10709957 0.82 MAPT (0.50) ALDH1A1MLYCDMAPTMEN1POLB
SCHEMBL5454494 0.81 EGFR (0.47) EGFRERBB2MLYCD
SCHEMBL11573012 0.77 ALDH1A1 (0.50) EGFRERBB2ALDH1A1MAPTMEN1
SCHEMBL9685025 0.77 RAB9A (0.44) EGFRERBB2ALDH1A1MAPTMEN1
SCHEMBL13309994 0.77 ALDH1A1 (0.41) EGFRERBB2ALDH1A1MLYCDMAPT
SCHEMBL3672078 0.77 ACHE (0.44) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL11298330 0.77 CA2 (0.46) ALDH1A1MLYCDTSHR
SCHEMBL18790836 0.76 CES1 (0.51) EGFRERBB2ALDH1A1MLYCDMAPT
SCHEMBL1665573 0.76 TSHR (0.50) EGFRERBB2ALDH1A1MEN1POLB
SCHEMBL194873 0.76 ALDH1A1 (0.59) ALDH1A1MAPTMEN1POLBGAA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371308-B2 Polymeric photoinitiators COLOPLAST A/S (DK) 2016-06-21 US claimed
US-9212160-B2 Photoinitiators COLOPLAST A/S (DK) 2015-12-15 US claimed
US-20150105565-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2015-04-16 US claimed
EP-2638077-B1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST AS (DK) 2015-01-07 EP claimed
EP-2744834-A1 POLYMERS COMPRISING PHOTOINITIATOR MOIETIES AND DYE MOIETIES Lambson Limited (GB) 2014-06-25 EP claimed
US-20130296577-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2013-11-07 US claimed
US-20130296454-A1 ROUTES TO POLYACRYLATES COLOPLAST A/S (DK) 2013-11-07 US claimed
US-20130289155-A1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST A/S (DK) 2013-10-31 US claimed
EP-2638078-A1 NEW ROUTES TO POLYACRYLATES Coloplast A/S (DK) 2013-09-18 EP claimed
EP-2638077-A1 NOVEL POLYMERIC PHOTOINITIATORS Coloplast A/S (DK) 2013-09-18 EP claimed
WO-2013026451-A1 POLYMERS COMPRISING PHOTOINITIATOR MOIETIES AND DYE MOIETIES COLOPLAST A/S (DK) 2013-02-28 WO claimed
WO-2012062334-A1 NEW ROUTES TO POLYACRYLATES COLOPLAST A/S (DK) 2012-05-18 WO claimed
WO-2012062333-A1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 WO claimed
EP-3369751-A1 NOVEL PHOTOINITIATORS Coloplast A/S (DK) 2018-09-05 EP disclosed
US-9708425-B2 Routes to polyacrylates COLOPLAST A/S (DK) 2017-07-18 US disclosed
US-9670373-B2 Polymers comprising photoinitiator moieties and dye moieties LAMBSON LIMITED (GB) 2017-06-06 US disclosed
EP-2638077-A1 NOVEL POLYMERIC PHOTOINITIATORS Coloplast A/S (DK) 2013-09-18 EP disclosed
WO-2013026451-A1 POLYMERS COMPRISING PHOTOINITIATOR MOIETIES AND DYE MOIETIES COLOPLAST A/S (DK) 2013-02-28 WO disclosed
WO-2012062334-A1 NEW ROUTES TO POLYACRYLATES COLOPLAST A/S (DK) 2012-05-18 WO disclosed
WO-2012062333-A1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 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 (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-20130296577-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PARG EGFR 3822/4885ERBB2 3794/4885ALDH1A1 536/4885
US-20150105565-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PPOX EGFR 3490/4885ERBB2 3663/4885ALDH1A1 240/4885

“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.