M-Xylene

M-Xylene

SCHEMBL457254

C=CCCC.Cc1cccc(C)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 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
M-Xylene SCHEMBL4415556 0.81 ACHE (0.63) ACHETDP1TP53ALDH1A1MAPK1
P-Xylene SCHEMBL6136954 0.80 ACHE (0.55) ACHETSHRTDP1TP53ALDH1A1
Toluene SCHEMBL27672064 0.78 TSHR (0.46) ACHETSHRTDP1TP53ALDH1A1
M-Xylene SCHEMBL11483190 0.76 ACHE (0.71) ACHETSHRTDP1TP53ALDH1A1
M-Xylene SCHEMBL458857 0.76 ACHE (0.71) ACHETSHRTDP1TP53ALDH1A1
M-Xylene SCHEMBL28720164 0.75 ACHE (0.80) ACHETSHRTDP1TP53ALDH1A1
Benzene SCHEMBL5685386 0.75 TSHR (0.80) TSHRALDH1A1
SCHEMBL30076650 0.75 TAAR1 (0.57) ACHETDP1TP53TAAR1IDO1
SCHEMBL1235828 0.75 TAAR1 (0.57) ACHETDP1TP53TAAR1IDO1
SCHEMBL3106109 0.74 TP53 (0.54) ACHETDP1TP53ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP claimed
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
US-8492575-B2 Method for improving the color index of organopolysiloxanes DSM IP ASSETS B.V. (NL) 2013-07-23 US disclosed
US-8481775-B2 Method for improving the color index of organopolysiloxanes DSM IP ASSETS B.V. (NL) 2013-07-09 US disclosed
EP-2352778-B1 PROCESS DSM IP ASSETS BV (NL) 2013-02-27 EP disclosed
EP-2192142-B1 Novel process DSM IP ASSETS BV (NL) 2012-02-08 EP disclosed
EP-1494642-A1 ORGANOSILICONE DERIVATIVES OF AMINO HYDROXYBENZOPHENONES AND THEIR USE AS UV-A FILTERS IN COSMETIC PREPARATIONS DSM IP Assets B.V. (NL) 2005-01-12 EP disclosed
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP 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
US-6018044-A TRIS((ALKYL, SILANE, OLIGOSILOXANE OR POLYSILOXANE)(OXY OR AMINO)CARBONYL-(1,4-PHENYLENE)-AMINO)-S-TRIAZINES HAVING AT LEAST ONE SILICON CONTAINING MOIETY OF GIVEN FORMULA; USE AS UV-B FILTERS IN LIGHT SCREENING COMPOSITIONS ROCHE VITAMINS INC. (US) 2000-01-25 US disclosed
EP-0933376-A2 Silanyl-triazines as light screening compositions F. HOFFMANN-LA ROCHE AG (CH) 1999-08-04 EP 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 ACHE 2987/4885TSHR 4284/4885TDP1 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.