SCHEMBL12595641

SCHEMBL12595641

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(C)ccc3-c3ccc(C)cc31)c1cc(C)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
MCHR1 Q99705 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 2/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
IGF1R P08069 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CRHR1 P34998 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL4546505 1.00 TLR8 (0.36) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL18718107 0.96 ALDH1A1 (0.38) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL12027393 0.96 ALDH1A1 (0.38) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL14461295 0.96 ALDH1A1 (0.38) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL17153143 0.94 TLR8 (0.38) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL13205036 0.94 TLR8 (0.38) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL14322047 0.93 TLR8 (0.33) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL11957248 0.93 TLR8 (0.33) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL13810504 0.91 TLR8 (0.34) TLR8IGF1R
SCHEMBL13326306 0.87 TLR8 (0.34) TLR8MCHR1PDE4APDE4BPDE4C

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
US-10333068-B2 White light emission MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-20170179392-A1 WHITE LIGHT EMISSION MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170179392-A1 WHITE LIGHT EMISSION MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170100607-A1 FIBERS IN THERAPY AND COSMETICS MERCK PATENT GMBH (DE) 2017-04-13 US disclosed
US-20170100607-A1 FIBERS IN THERAPY AND COSMETICS MERCK PATENT GMBH (DE) 2017-04-13 US disclosed
US-9539438-B2 Fibers in therapy and cosmetics MERCK PATENT GMBH (DE) 2017-01-10 US disclosed
US-9539438-B2 Fibers in therapy and cosmetics MERCK PATENT GMBH (DE) 2017-01-10 US disclosed
US-20160339263-A1 SKIN LIGHTENER IN PHOTOTHERAPY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
US-20160339263-A1 SKIN LIGHTENER IN PHOTOTHERAPY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
US-20160256053-A1 RADIATIVE FIBERS MERCK PATENT GMBH (DE) 2016-09-08 US disclosed
US-20140323950-A1 SKIN LIGHTENER IN PHOTOTHERAPY MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
US-20140323950-A1 SKIN LIGHTENER IN PHOTOTHERAPY MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
US-20140148877-A1 THERAPEUTIC AND COSMETIC ELECTROLUMINESCENT COMPOSITIONS MERCK PATENT GMBH (DE) 2014-05-29 US disclosed
US-20140148877-A1 THERAPEUTIC AND COSMETIC ELECTROLUMINESCENT COMPOSITIONS MERCK PATENT GMBH (DE) 2014-05-29 US disclosed
WO-2013060407-A1 SKIN LIGHTENER IN PHOTOTHERAPY MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed
US-20130006118-A1 RADIATIVE FIBERS MERCK PATENT GMBH (DE) 2013-01-03 US disclosed
US-20130006119-A1 FIBERS IN THERAPY AND COSMETICS MERCK PATENT GMBH (DE) 2013-01-03 US disclosed
US-20120245658-A1 Therapeutic and Cosmetic Electroluminescent Compositions MERCK PATENT GMBH (DE) 2012-09-27 US disclosed
US-20120245658-A1 Therapeutic and Cosmetic Electroluminescent Compositions MERCK PATENT GMBH (DE) 2012-09-27 US disclosed
WO-2011069590-A1 THERAPEUTIC AND COSMETIC ELECTROLUMINESCENT COMPOSITIONS MERCK PATENT GMBH (DE) 2011-06-16 WO 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 (2 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-20120245658-A1 Therapeutic and Cosmetic Electroluminescent Compositions LPO, TYR, GPX1 TLR8 2437/4885MCHR1 1749/4885PDE4A 1818/4885
US-20160339263-A1 SKIN LIGHTENER IN PHOTOTHERAPY TYR, MC1R, CUTA TLR8 2579/4885MCHR1 18/4885PDE4A 2681/4885

“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.