SCHEMBL1010281

SCHEMBL1010281

COc1ccc(C2(c3ccccc3)C=Cc3c4c(c5cc(OC)c(OC)cc5c3O2)-c2ccc(-c3ccc(C(=O)O)cc3)cc2C4(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.38
RARB P10826 4/20 0.38
RARG P13631 4/20 0.38
CYP2C8 P10632 1/20 0.35
EIF4A1 P60842 7/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
EGFR P00533 1/20 0.33
MAP4K4 O95819 1/20 0.33
RXRA P19793 1/20 0.32

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
SCHEMBL1010337 0.94 EIF4A1 (0.34) EIF4A1CYP3A4HIF1A
SCHEMBL1189076 0.93 PDK2 (0.33) CYP2C8EIF4A1CYP3A4HIF1A
SCHEMBL1007779 0.93 PDK2 (0.33) CYP2C8EIF4A1CYP3A4HIF1A
SCHEMBL1009527 0.91 LMNA (0.35) RARARARBRARGEIF4A1RXRA
SCHEMBL1010971 0.91 CA12 (0.31) CYP3A4
SCHEMBL26512588 0.90 KDM4E (0.34) EIF4A1
SCHEMBL26512595 0.88 KDM4E (0.35)
SCHEMBL25844582 0.88 ALKBH3 (0.33)
SCHEMBL1009900 0.87 SIRT1 (0.34)
SCHEMBL166808 0.87 PAX8 (0.33)

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 8 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
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 RARA 1690/4885RARB 2928/4885RARG 1178/4885
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA RARA 1710/4885RARB 2878/4885RARG 1174/4885

“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.