SCHEMBL1010912

SCHEMBL1010912

COC(=O)c1ccc2c(c1)C(C)(C)c1c3c(c4cc(OC)c(OC)cc4c1-2)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
VDR P11473 1/20 0.36
EIF4A1 P60842 2/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
CYP2C9 P11712 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
ALOX12 P18054 2/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
XBP1 P17861 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
SCHEMBL1009527 0.93 LMNA (0.35) EIF4A1CA1CA2ALDH1A1KDM4E
SCHEMBL3136357 0.93 VDR (0.37) KMT2AVDREIF4A1CA1CA2
SCHEMBL1010337 0.91 EIF4A1 (0.34) EIF4A1ALDH1A1CYP3A4CYP2C19L3MBTL1
SCHEMBL30708924 0.90 KDM4E (0.34) KMT2ACA1CYP2C9ALDH1A1KDM4E
SCHEMBL3705699 0.90 KDM4E (0.34) KMT2ACA1CYP2C9ALDH1A1KDM4E
SCHEMBL30359860 0.90 KMT2A (0.37) KMT2AVDREIF4A1CA1CA2
SCHEMBL1010280 0.88 ALK (0.38) CYP3A4CYP2D6L3MBTL1
SCHEMBL1010971 0.87 CA12 (0.31) KMT2ACA1CYP2C9ALDH1A1KDM4E
SCHEMBL25844438 0.87 CA12 (0.31) KMT2ACA1CYP2C9ALDH1A1KDM4E
SCHEMBL30708909 0.87 CA12 (0.33) KMT2ACA1CYP2C9ALDH1A1KDM4E

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 claimed
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 claimed
US-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. 2006-10-12 US claimed
US-20060226402-A1 Ophthalmic devices comprising photochromic materials having extended PI-conjugated systems KIM BEON-KYU 2006-10-12 US claimed
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-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
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

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 KMT2A 1342/4885VDR 1578/4885EIF4A1 1326/4885
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA KMT2A 1531/4885VDR 1094/4885EIF4A1 1632/4885

“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.