SCHEMBL164608

SCHEMBL164608

COc1cc2c(O)cc3c(c2cc1N1CCOCC1)-c1ccccc1C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
PRKDC P78527 2/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
ADRA2B P18089 1/20 0.37
ADRA1A P35348 1/20 0.37
AKR1C3 P42330 1/20 0.37
PARP1 P09874 1/20 0.37
CNR2 P34972 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL2021919 0.90 MAPT (0.38) TSHRALDH1A1L3MBTL1DRD2DRD4
SCHEMBL1813140 0.90 PTPN1 (0.37) TSHRALDH1A1GAAL3MBTL1DRD2
SCHEMBL1816802 0.89 ALDH1A1 (0.40) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL26629591 0.87 ALDH1A1 (0.41) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL1093229 0.86 ALDH1A1 (0.41) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL25836761 0.85 ALDH1A1 (0.40) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL1711096 0.84 PRKDC (0.40) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL10049967 0.84 ALDH1A1 (0.36) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL12424625 0.84 ALDH1A1 (0.38) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL3924406 0.83 ALDH1A1 (0.39) TSHRALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US 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-8147725-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC (US) 2012-04-03 US disclosed
WO-2012030518-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2012-03-08 WO disclosed
US-20110049445-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE, INC. 2011-03-03 US disclosed
US-20110042629-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2011-02-24 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-20120145975-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INTS6, INCENP TSHR 4188/4885ALDH1A1 1027/4885KDM4E 4541/4885
US-20130065056-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INCENP, INTS6, IPO4 TSHR 3398/4885ALDH1A1 1173/4885KDM4E 4329/4885
US-20110042629-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INCENP, IPO11 TSHR 4436/4885ALDH1A1 1526/4885KDM4E 4152/4885
US-20110049445-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INCENP, INTS6, IPO4 TSHR 3398/4885ALDH1A1 1173/4885KDM4E 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.