SCHEMBL459336

SCHEMBL459336

CC=CCc1cc(C)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.59
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.38
AMY1A P0DUB6 1/20 0.37
TACR1 P25103 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL10521945 1.00 TAAR1 (0.59) TAAR1ALDH1A1TDP1POLBAMY1A
SCHEMBL5837446 0.83 TAAR1 (0.44) TAAR1ALDH1A1TDP1GAAKDM4E
SCHEMBL294086 0.82 TAAR1 (0.52) TAAR1ALDH1A1TDP1POLBAMY1A
SCHEMBL294085 0.82 TAAR1 (0.52) TAAR1ALDH1A1TDP1POLBAMY1A
SCHEMBL27835934 0.80 CYP3A4 (0.39) TAAR1CYP3A4
SCHEMBL22355712 0.78 TAAR1 (0.52) TAAR1ALDH1A1TDP1POLBAMY1A
SCHEMBL4746752 0.77 CYP2A6 (0.38) TAAR1ALDH1A1TDP1POLBKDM4E
SCHEMBL170382 0.77 TAAR1 (0.50) TAAR1ALDH1A1TDP1POLBAMY1A
SCHEMBL30976143 0.77 TAAR1 (0.50) TAAR1ALDH1A1TDP1POLBAMY1A
SCHEMBL1124970 0.77 TAAR1 (0.50) TAAR1ALDH1A1TDP1POLBAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081140-B1 Novel Pyrimidine-2,4,6-trione compounds DSM IP ASSETS BV (NL) 2005-06-01 EP claimed
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP claimed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US claimed
EP-1081140-A2 Novel Pyrimidine-2,4,6-trione compounds F. HOFFMANN-LA ROCHE AG (CH) 2001-03-07 EP claimed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP claimed
JP-1301629-A None JP disclosed
JP-7017879-A None JP disclosed
JP-7309789-A None JP disclosed
EP-3019142-B1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND / OR POLYMETHYLMETHACRYLATE PARTICLES DSM IP ASSETS BV (NL) 2017-10-04 EP disclosed
US-20160143831-A1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND/OR POLYMETHYLMETHACRYLATE PARTICLES DSM IP ASSETS B.V. (NL) 2016-05-26 US disclosed
EP-3019142-A1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND/OR POLYMETHYLMETHACRYLATE PARTICLES DSM IP Assets B.V. (NL) 2016-05-18 EP disclosed
WO-2015003987-A1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND/OR POLYMETHYLMETHACRYLATE PARTICLES DSM IP ASSETS B.V. (NL) 2015-01-15 WO disclosed
WO-2003086340-A1 ORGANOSILICONE DERIVATIVES OF AMINO HYDROXYBENZOPHENONES AND THEIR USE AS UV-A FILTERS IN COSMETIC PREPARATIONS DSM IP ASSETS B.V. (NL) 2003-10-23 WO disclosed
US-6573269-B1 Compounds for protecting surface of substrate from ultraviolet light ROCHE VITAMINS INC. 2003-06-03 US disclosed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US disclosed
EP-1081140-A2 Novel Pyrimidine-2,4,6-trione compounds F. HOFFMANN-LA ROCHE AG (CH) 2001-03-07 EP disclosed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP disclosed
JP-H07309789-A PRODUCTION OF 2,6-DIMETHYLNAPHTHALENE MITSUBISHI CHEM CORP 1995-11-28 JP disclosed
JP-H0717879-A PRODUCTION OF 2,6-DIMETHYLNAPHTHALENE MITSUBISHI CHEM CORP 1995-01-20 JP disclosed
JP-H01301629-A PRODUCTION OF NAPHTHALENES MITSUI PETROCHEM IND LTD 1989-12-05 JP 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-20160143831-A1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND/OR POLYMETHYLMETHACRYLATE PARTICLES RAD50, SERPINB10, XRCC5 TAAR1 3396/4885ALDH1A1 1327/4885TDP1 3892/4885

“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.