SCHEMBL1815597

SCHEMBL1815597

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 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
SCHEMBL1816876 0.92 IDO1 (0.39) MAPTKDM4EGAACYP1A2CYP3A4
SCHEMBL1811834 0.87 PTGDR2 (0.35) KCNH2MAPTKDM4EGAAKMT2A
SCHEMBL30125445 0.83 CNR1 (0.35) GAAKMT2AMEN1RAB9APDK2
SCHEMBL8509708 0.83 CNR1 (0.35) GAAKMT2AMEN1RAB9APDK2
SCHEMBL27082851 0.82 MEN1 (0.34) GAAKMT2AMEN1IDO1TDO2
SCHEMBL30125565 0.82 MEN1 (0.34) GAAKMT2AMEN1IDO1TDO2
SCHEMBL1815053 0.82 PDK2 (0.42) MAPTGAAKMT2AMEN1PGR
SCHEMBL163723 0.82 GSK3B (0.35) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL25836793 0.82 KCNH2 (0.35) KCNH2MAPTKDM4EGAAKMT2A
SCHEMBL25875887 0.82 KCNH2 (0.35) KCNH2MAPTKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943267-A Method for synthesizing naphthopyran photochromic dye by using microchannel reactor 广州盛色科技有限公司 2022-01-18 CN disclosed
EP-2078006-B1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL INC (US) 2018-11-07 EP disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP disclosed
US-9006427-B2 Photochromic materials demonstrating improved fade rates TRANSITIONS OPTICAL, INC. (US) 2015-04-14 US disclosed
US-8748634-B2 Photochromic materials demonstrating improved fade rates TRANSITIONS OPTICAL, INC. (US) 2014-06-10 US disclosed
US-20140155598-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2014-06-05 US disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 WO disclosed
EP-2078006-A2 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2009-07-15 EP disclosed
WO-2008054942-A2 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-08 WO disclosed
US-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-01 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 (3 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 KCNH2 1216/4885MAPT 785/4885KDM4E 2003/4885
US-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES PNPO, FLAD1, CRY2 KCNH2 2361/4885MAPT 1586/4885KDM4E 774/4885
US-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 KCNH2 1281/4885MAPT 294/4885KDM4E 931/4885

“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.