SCHEMBL678471

SCHEMBL678471

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CES1 P23141 2/20 0.47
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
IDO1 P14902 2/20 0.46
CES2 O00748 1/20 0.46
SRD5A2 P31213 1/20 0.46
KCNJ1 P48048 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL20347188 0.83 BCL9 (0.43) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL12786321 0.83 ALDH1A1 (0.40) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL6667989 0.82 TSHR (0.49) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL3080086 0.82 TSHR (0.49) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL7266498 0.81 ALDH1A1 (0.46) CYP2C19CYP1A2ALDH1A1BCL9CTNNB1
SCHEMBL3146193 0.80 ALDH1A1 (0.57) TSHRCYP2C19ALDH1A1
SCHEMBL9207348 0.80 TSHR (0.50) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL5160750 0.78 CYP2C19 (0.48) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL9269925 0.78 CYP1A2 (0.51) TSHRCYP2C19CYP1A2LOXL2ALDH1A1
SCHEMBL5160741 0.78 CYP2C19 (0.48) TSHRCYP2C19CYP1A2LOXL2TDP1

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 86 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
CN-108912011-A Light arrangement material 罗立克科技股份公司 2018-11-30 CN 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
CN-104040417-B Complementary polymeric electrochromic device 阿什温-乌沙斯公司 2017-07-18 CN 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-20080069968-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-03-20 US 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
EP-1799791-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2007-06-27 EP disclosed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 WO 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 4828/4885CYP2C19 2387/4885CYP1A2 3764/4885
US-10197881-B2 Complimentary polymer electrochromic device PMS2, PARG, EED TSHR 2626/4885CYP2C19 1298/4885CYP1A2 3207/4885
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked C9, F12, DAO TSHR 4654/4885CYP2C19 4051/4885CYP1A2 3898/4885
US-20080069968-A1 Photocrosslinkable Materials PARG, VSIR, IGLV6-57 TSHR 1355/4885CYP2C19 3112/4885CYP1A2 4706/4885

“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.