SCHEMBL9906969

SCHEMBL9906969

CC(COCCOC(=O)c1ccccc1C(=O)c1ccccc1)OCCOC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
TSHR P16473 6/20 0.47
L3MBTL1 Q9Y468 5/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
AKR1C3 P42330 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL12287302 0.95 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL21152585 0.85 TSHR (0.53) ALDH1A1TSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL1188371 0.84 LMNA (0.51) ALDH1A1TSHRTDP1LMNAKMT2A
SCHEMBL10025642 0.83 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL11985680 0.82 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL22373626 0.78 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL22373628 0.78 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL21733186 0.78 ALDH1A1 (0.57) ALDH1A1TSHRTDP1LMNAKMT2A
Propene SCHEMBL2522320 0.78 TDP1 (0.50) ALDH1A1TSHRL3MBTL1CYP3A4TDP1
SCHEMBL12134348 0.76 ALDH1A1 (0.60) ALDH1A1TSHRL3MBTL1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240755-A1 POLYCYCLIC PHOTOINITIATORS IGM GROUP B.V. (NL) 2017-08-24 US disclosed
US-9701762-B2 Hybrid photoinitiators BASF SE (DE) 2017-07-11 US disclosed
US-20160168279-A1 HYBRID PHOTOINITIATORS BASF SE (DE) 2016-06-16 US disclosed
US-8637585-B2 Silsesquioxane photoinitiators BASF SE (DE) 2014-01-28 US disclosed
US-8507726-B2 Photoinitiator mixtures BASF SE (DE) 2013-08-13 US disclosed
US-20120142793-A1 SILSESQUIOXANE PHOTOINITIATORS BASF SE (DE) 2012-06-07 US disclosed
US-20110218266-A1 PHOTOINITIATOR MIXTURES BASF SE (DE) 2011-09-08 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 (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-20170240755-A1 POLYCYCLIC PHOTOINITIATORS C1R, C9, C5 ALDH1A1 3469/4885TSHR 175/4885L3MBTL1 550/4885
US-20160168279-A1 HYBRID PHOTOINITIATORS CHRM1, CHRM2, CHRM3 ALDH1A1 2527/4885TSHR 679/4885L3MBTL1 406/4885

“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.