SCHEMBL1011786

SCHEMBL1011786

COC(=O)c1cc(OC(C)=O)c2cc(OC)c(OC)cc2c1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
KDM4E B2RXH2 7/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 1/20 0.44
NR4A2 P43354 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
PAX8 Q06710 1/20 0.41
TSHR P16473 3/20 0.41
KMT2A Q03164 2/20 0.41
ACLY P53396 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL31435276 0.97 KDM4E (0.46) DHODHKDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL1332988 0.97 KDM4E (0.46) DHODHKDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL9899016 0.89 NR4A2 (0.50) KDM4EHSD17B10NR4A2ALDH1A1HPGD
SCHEMBL9899201 0.89 NR4A2 (0.46) DHODHKDM4EHSD17B10NR4A2ALDH1A1
SCHEMBL174812 0.88 CFD (0.43) DHODHKDM4EHSD17B10MAPK1NR4A2
SCHEMBL6131895 0.88 DHODH (0.46) DHODHKDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL1010947 0.88 DHODH (0.48) DHODHKDM4EHSD17B10MAPK1NR4A2
SCHEMBL9899615 0.87 PLA2G2A (0.49) KDM4ENR4A2ALDH1A1HPGDMAPT
SCHEMBL1009498 0.86 TSHR (0.48) DHODHKDM4EHSD17B10NR4A2ALDH1A1
SCHEMBL8531810 0.86 KDM4E (0.42) KDM4EHSD17B10MAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1872173-B9 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2011-01-05 EP disclosed
EP-1872173-B1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2010-04-14 EP disclosed
US-20090072206-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. 2009-03-19 US disclosed
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2009-02-05 US disclosed
EP-1872173-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2008-01-02 EP disclosed
EP-1869140-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP disclosed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
WO-2006110221-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO disclosed
US-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. 2006-10-12 US disclosed
US-20060226402-A1 Ophthalmic devices comprising photochromic materials having extended PI-conjugated systems KIM BEON-KYU 2006-10-12 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-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same INCENP, PCNA, INTS6 DHODH 1799/4885KDM4E 1878/4885HSD17B10 3056/4885
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA DHODH 1778/4885KDM4E 2421/4885HSD17B10 2756/4885

“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.