SCHEMBL161727

SCHEMBL161727

CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(O)c1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PDK2 Q15119 3/20 0.38
EGFR P00533 2/20 0.37
ESR2 Q92731 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 1/20 0.35
BACE1 P56817 1/20 0.34

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
SCHEMBL1814886 0.88 PDK2 (0.46) PDK2ESR2KDM4ELMNAHTT
SCHEMBL9900316 0.88 KMT2A (0.38) PDK2KDM4EMEN1ALDH1A1HSP90AA1
SCHEMBL1812126 0.88 GPR84 (0.36) PDK2KDM4EMEN1ALDH1A1MAPT
SCHEMBL9898275 0.87 PDK2 (0.40) ALOX5PDK2EGFRESR2KDM4E
SCHEMBL23572608 0.87 MAPT (0.36) ALOX5PDK2EGFRESR2KDM4E
SCHEMBL30104205 0.87 MAPT (0.36) ALOX5PDK2EGFRESR2KDM4E
SCHEMBL1813707 0.85 MEN1 (0.42) PDK2EGFRKDM4EMEN1ALDH1A1
SCHEMBL19766249 0.84 PDK2 (0.38) ALOX5PDK2LMNAHTTMEN1
SCHEMBL164197 0.84 EGFR (0.38) PDK2EGFRMEN1KMT2ARARA
SCHEMBL1010811 0.84 EGFR (0.38) PDK2EGFRMEN1KMT2ARARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022148752-A9 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2023-08-03 WO disclosed
WO-2022148752-A2 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2022-07-14 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
EP-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 EP disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 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-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-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans 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 (5 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 ALOX5 2998/4885PDK2 2477/4885EGFR 2190/4885
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 ALOX5 1474/4885PDK2 1246/4885EGFR 3417/4885
US-20110042629-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INCENP, IPO11 ALOX5 2939/4885PDK2 2804/4885EGFR 2384/4885
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 ALOX5 275/4885PDK2 1487/4885EGFR 4308/4885
US-20110049445-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INCENP, INTS6, IPO4 ALOX5 2479/4885PDK2 3085/4885EGFR 2234/4885

“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.