SCHEMBL1010700

SCHEMBL1010700

COc1cc2c(O)cc3c(c2cc1OC)-c1ccc(-c2ccc(CO)cc2)cc1C3(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.39
ERN1 O75460 2/20 0.39
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PDK2 Q15119 1/20 0.36
CHEK1 O14757 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL1816046 0.91 TTR (0.34) FYNERN1MEN1KMT2AALDH1A1
SCHEMBL1010811 0.87 EGFR (0.38) FYNMEN1KMT2APDK2CHEK1
SCHEMBL164197 0.87 EGFR (0.38) FYNMEN1KMT2APDK2CHEK1
SCHEMBL1012466 0.86 FYN (0.37) FYNHPGDMEN1KMT2AALDH1A1
SCHEMBL8509708 0.84 CNR1 (0.35) MEN1KMT2APDK2GAAMGAM
SCHEMBL30125445 0.84 CNR1 (0.35) MEN1KMT2APDK2GAAMGAM
SCHEMBL1010936 0.83 RARA (0.48) ERN1MEN1KMT2APDE4APDE4B
SCHEMBL1812178 0.83 CHEK1 (0.37) ALDH1A1PDK2CHEK1
SCHEMBL1816876 0.83 IDO1 (0.39) HPGDALDH1A1PDK2MAPTGAA
SCHEMBL23572575 0.83 ALDH1A1 (0.38) FYNMEN1KMT2AALDH1A1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647538-B2 Photochromic compounds having at least two photochromic moieties TRANSITIONS OPTICAL, INC. (US) 2014-02-11 US disclosed
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties TRANSITIONS OPTICAL, INC. (US) 2012-05-31 US disclosed
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 (3 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 FYN 4668/4885ERN1 3308/4885HPGD 693/4885
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA FYN 4490/4885ERN1 3303/4885HPGD 928/4885
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties CRY2, PCNA, MTCL3 FYN 1876/4885ERN1 4800/4885HPGD 3035/4885

“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.