SCHEMBL163723

SCHEMBL163723

COc1cc2c(O)cc3c(c2cc1OC)-c1ccc(Br)cc1C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
PARP1 P09874 2/20 0.34
PTPN1 P18031 2/20 0.34
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALK Q9UM73 1/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CDK2 P24941 1/20 0.32
LMNA P02545 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
SCHEMBL9898823 0.85 CDK4 (0.36) KMT2AMAPTNPC1MEN1GAA
SCHEMBL1009767 0.85 CDK4 (0.36) KMT2AMAPTNPC1MEN1GAA
SCHEMBL6818231 0.83 PARP1 (0.37) GSK3BPARP1PTPN1KMT2AMAPT
SCHEMBL165110 0.82 PDK2 (0.40) PARP1PTPN1KMT2AKDM4ERAB9A
SCHEMBL30125362 0.82 PDK2 (0.40) PARP1PTPN1KMT2AKDM4ERAB9A
SCHEMBL23572603 0.82 PPM1A (0.37) KMT2AMAPTMEN1GAAALK
SCHEMBL1815597 0.82 KCNH2 (0.36) GSK3BPARP1PTPN1KMT2AMAPT
SCHEMBL30104206 0.82 PPM1A (0.37) KMT2AMAPTMEN1GAAALK
SCHEMBL30125565 0.82 MEN1 (0.34) PARP1PTPN1KMT2AMEN1POLB
SCHEMBL1816046 0.82 TTR (0.34) PARP1PTPN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9139552-B2 Indeno-fused naphthopyrans having ethylenically unsaturated groups TRANSITIONS OPTICAL, INC. (US) 2015-09-22 US disclosed
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP 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
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP 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-8647538-B2 Photochromic compounds having at least two photochromic moieties TRANSITIONS OPTICAL, INC. (US) 2014-02-11 US disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
US-7481955-B2 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL, INC. (US) 2009-01-27 US disclosed
WO-2008021375-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 WO 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-2007140058-A1 PHOTOCHROMIC MATERIALS COMPRISING METALLOCENYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 WO disclosed
US-20070278460-A1 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL LIMITED (IE) 2007-12-06 US 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 (1 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 GSK3B 2878/4885PARP1 166/4885PTPN1 363/4885

“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.