SCHEMBL679408

SCHEMBL679408

O=[N+]([O-])c1ccc(CC(CO)(CO)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.52
CYP2C19 P33261 4/20 0.50
ALDH1A1 P00352 3/20 0.50
IDO1 P14902 4/20 0.47
AKR1C3 P42330 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CES1 P23141 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL26980906 0.96 TSHR (0.58) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL12786790 0.89 TSHR (0.47) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL12786654 0.86 TSHR (0.45) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL12713958 0.82 TSHR (0.37) TSHRLOXL2CYP2C19ALDH1A1
SCHEMBL5960922 0.78 IDO1 (0.53) TSHRLOXL2CYP2C19ALDH1A1IDO1
Paranitrobenzyl Alcohol SCHEMBL114620 0.77 TSHR (0.69) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL1627332 0.77 TSHR (0.53) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL14935124 0.77 TSHR (0.58) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL10597552 0.76 LOXL2 (0.55) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL9474702 0.76 LOXL2 (0.55) TSHRLOXL2CYP2C19ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208031-B2 Photocrosslinkable materials comprising alicyclic group ROLIC AG (CH) 2019-02-19 US disclosed
US-10197881-B2 Complimentary polymer electrochromic device ASHWIN-USHAS CORPORATION, INC. (US) 2019-02-05 US disclosed
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
US-20170184936-A1 Complimentary Polymer Electrochromic Device ASHWIN-USHAS CORP INC (US) 2017-06-29 US disclosed
US-20170184936-A1 Complimentary Polymer Electrochromic Device ASHWIN-USHAS CORP INC (US) 2017-06-29 US disclosed
EP-2780762-B1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE ASHWIN-USHAS CORP INC (US) 2017-06-28 EP disclosed
EP-2780762-B1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE ASHWIN-USHAS CORP INC (US) 2017-06-28 EP disclosed
US-9594284-B2 Complimentary polymer electrochromic device ASHWIN-USHAS CORPORATION, INC. (US) 2017-03-14 US disclosed
US-9594284-B2 Complimentary polymer electrochromic device ASHWIN-USHAS CORPORATION, INC. (US) 2017-03-14 US disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
WO-2008135131-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2008-11-13 WO disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed
EP-1801097-A1 Photocrosslinkable materials Rolic AG (CH) 2007-06-27 EP disclosed
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked ROLIC AG (CH) 2005-12-29 US disclosed
EP-1525182-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2005-04-27 EP disclosed
WO-2004013086-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2004-02-12 WO disclosed
EP-1386910-A1 Photoactive materials Rolic AG (CH) 2004-02-04 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 (4 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-10208031-B2 Photocrosslinkable materials comprising alicyclic group DDC, ALAD, DYNC1LI1 TSHR 4828/4885LOXL2 1264/4885CYP2C19 2387/4885
US-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD TSHR 3933/4885LOXL2 2938/4885CYP2C19 1426/4885
US-10197881-B2 Complimentary polymer electrochromic device PMS2, PARG, EED TSHR 2626/4885LOXL2 653/4885CYP2C19 1298/4885
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked C9, F12, DAO TSHR 4654/4885LOXL2 1394/4885CYP2C19 4051/4885

“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.