SCHEMBL2332862

SCHEMBL2332862

O=[N+]([O-])c1ccc(C(CO)CO)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 3/20 0.53
GPR35 Q9HC97 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.49
HIF1A Q16665 1/20 0.49
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
GRM8 O00222 1/20 0.46
GRM4 Q14833 1/20 0.46
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.42
CES2 O00748 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL28052793 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1GPR35SMN1; SMN2TSHR
SCHEMBL10783522 0.81 ALDH1A1 (0.55) ALDH1A1GPR35SMN1; SMN2TSHRTDP1
SCHEMBL10782608 0.81 HSD17B10 (0.55) ALDH1A1MAPK1GPR35SMN1; SMN2TDP1
SCHEMBL17361846 0.81 S100A4 (0.42) MAPK1CYP1A2MAPTL3MBTL1
SCHEMBL30558351 0.81 S100A4 (0.42) MAPK1CYP1A2MAPTL3MBTL1
SCHEMBL8744250 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1GPR35SMN1; SMN2TSHR
SCHEMBL11426135 0.80 TDP1 (0.59) ALDH1A1MAPK1GPR35SMN1; SMN2TSHR
SCHEMBL14844208 0.79 GRM8 (0.49) ALDH1A1MAPK1GPR35SMN1; SMN2TSHR
SCHEMBL2945251 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL6841595 0.77 MAPK1 (0.44) ALDH1A1MAPK1GPR35SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108912011-B Photoalignment material 罗立克科技股份公司 2021-09-24 CN disclosed
EP-2534191-B1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC TECH AG (CH) 2020-04-15 EP disclosed
US-9493394-B2 Photoaligning materials ROLIC AG (CH) 2016-11-15 US disclosed
US-9493394-B2 Photoaligning materials ROLIC AG (CH) 2016-11-15 US disclosed
US-9493394-B2 Photoaligning materials ROLIC AG (CH) 2016-11-15 US disclosed
US-9334366-B2 Photoaligning materials ROLIC AG (CH) 2016-05-10 US disclosed
US-9334366-B2 Photoaligning materials ROLIC AG (CH) 2016-05-10 US disclosed
US-9334366-B2 Photoaligning materials ROLIC AG (CH) 2016-05-10 US disclosed
US-9097938-B2 Photoaligning material ROLIC AG (CH) 2015-08-04 US disclosed
US-20140342086-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2014-11-20 US disclosed
WO-2013050121-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2013-04-11 WO disclosed
WO-2013050122-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2013-04-11 WO disclosed
WO-2013050121-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2013-04-11 WO disclosed
WO-2013050122-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2013-04-11 WO disclosed
EP-2561007-A1 PHOTOALIGNING MATERIAL Rolic AG (CH) 2013-02-27 EP disclosed
US-20130035446-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2013-02-07 US disclosed
EP-2534191-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION Rolic AG (CH) 2012-12-19 EP disclosed
US-20120316317-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC AG (CH) 2012-12-13 US disclosed
WO-2011131649-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2011-10-27 WO disclosed
WO-2011098461-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC AG (CH) 2011-08-18 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-20120316317-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION LATS1, LATS2, LCP1 ALDH1A1 4503/4885MAPK1 2091/4885GPR35 3075/4885
US-20130035446-A1 PHOTOALIGNING MATERIAL MAP1LC3C, MAP1LC3A, LCP1 ALDH1A1 3420/4885MAPK1 1534/4885GPR35 2900/4885

“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.