SCHEMBL1011068

SCHEMBL1011068

COC(=O)C(CC(=O)O)=C(c1ccc(-c2ccccc2)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
SMPD1 P17405 2/20 0.54
CYP3A4 P08684 2/20 0.54
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
TPMT P51580 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ABCB1 P08183 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL1331951 0.93 CA12 (0.51) SMN1; SMN2SMPD1CYP3A4HDAC1HDAC8
SCHEMBL1331949 0.93 CA12 (0.51) SMN1; SMN2SMPD1CYP3A4HDAC1HDAC8
SCHEMBL6131985 0.91 CA12 (0.57) SMPD1CYP3A4HDAC1HDAC8HDAC6
SCHEMBL9899633 0.88 SMN1; SMN2 (0.47) SMN1; SMN2HDAC1HDAC8HDAC6NPC1
SCHEMBL9899631 0.88 SMN1; SMN2 (0.47) SMN1; SMN2HDAC1HDAC8HDAC6NPC1
SCHEMBL4367722 0.86 SMPD1 (0.52) SMN1; SMN2SMPD1CYP3A4HDAC1HDAC8
SCHEMBL4367720 0.86 SMPD1 (0.52) SMN1; SMN2SMPD1CYP3A4HDAC1HDAC8
SCHEMBL8511383 0.84 ALDH1A1 (0.57) SMN1; SMN2CYP3A4CA12CA1CA2
SCHEMBL8511385 0.84 ALDH1A1 (0.57) SMN1; SMN2CYP3A4CA12CA1CA2
SCHEMBL9933246 0.84 TRPV1 (0.53) SMN1; SMN2SMPD1HDAC1NPC1RAB9A

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 SMN1; SMN2 3104/4885SMPD1 3439/4885CYP3A4 912/4885
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA SMN1; SMN2 3453/4885SMPD1 3834/4885CYP3A4 828/4885

“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.