SCHEMBL174812

SCHEMBL174812

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TNFSF11 O14788 1/20 0.38
BACE1 P56817 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 2/20 0.38
NR4A2 P43354 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK8 P45983 1/20 0.37
DHODH Q02127 1/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL1011786 0.88 DHODH (0.45) KDM4ESMN1; SMN2TSHRHSD17B10NR4A2
SCHEMBL6131895 0.88 DHODH (0.46) CFDKDM4ENPC1PKMRAB9A
SCHEMBL1332988 0.88 KDM4E (0.46) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL31435276 0.88 KDM4E (0.46) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL25876669 0.87 BACE1 (0.44) CFDSLC6A3KDM4ERAB9AL3MBTL1
SCHEMBL8511704 0.87 BACE1 (0.44) CFDSLC6A3KDM4ERAB9AL3MBTL1
SCHEMBL3137352 0.86 SLC6A3 (0.49) CFDSLC6A3KDM4ERAB9ATSHR
SCHEMBL3945879 0.86 CFD (0.42) CFDKDM4ENPC1PKMRAB9A
SCHEMBL8531810 0.86 KDM4E (0.42) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL27165405 0.86 CFD (0.41) CFDSLC6A3KDM4ENPC1NR4A2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed
US-9465234-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2016-10-11 US disclosed
US-20150301357-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2015-10-22 US disclosed
US-9097916-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-08-04 US disclosed
US-20140225049-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-08-14 US disclosed
US-8741188-B2 Ophthalmic devices comprising photochromic materials having extended pi-conjugated systems JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-06-03 US disclosed
US-20130065056-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE, INC. 2013-03-14 US disclosed
US-8388872-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. (US) 2013-03-05 US disclosed
US-20120145975-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2012-06-14 US disclosed
US-8158037-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2012-04-17 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
US-7481955-B2 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL, INC. (US) 2009-01-27 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
US-20070278460-A1 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL LIMITED (IE) 2007-12-06 US disclosed
WO-2007140058-A1 PHOTOCHROMIC MATERIALS COMPRISING METALLOCENYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 WO 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 (4 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 CFD 3473/4885SLC6A3 2375/4885KDM4E 1878/4885
US-20090032782-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INTS6, INCENP, PCNA CFD 3713/4885SLC6A3 1773/4885KDM4E 2421/4885
US-20120145975-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INTS6, INCENP CFD 3718/4885SLC6A3 278/4885KDM4E 4541/4885
US-20130065056-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INCENP, INTS6, IPO4 CFD 2860/4885SLC6A3 435/4885KDM4E 4329/4885

“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.