P-Xylene

P-Xylene

SCHEMBL459337

C=CCC.Cc1ccc(C)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2A6 P11509 2/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TGM2 P21980 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
C5AR1 P21730 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MMP9 P14780 1/20 0.36
CYP1A2 P05177 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
P-Xylene SCHEMBL22832066 0.92 ACHE (0.42) ACHETDP1CYP2A6IDO1ALDH1A1
P-Xylene SCHEMBL6136954 0.85 ACHE (0.55) ACHETDP1IDO1ALDH1A1NPC1
P-Xylene SCHEMBL27502894 0.79 TSHR (0.53) ACHETDP1CYP2A6IDO1ALDH1A1
SCHEMBL8897251 0.78 HRH3 (0.36) TDP1ALDH1A1SMN1; SMN2MAPTTSHR
O-Xylene SCHEMBL11054463 0.77 TSHR (0.56) ACHETDP1CYP2A6ALDH1A1CA1
P-Xylene SCHEMBL28049921 0.76 ACHE (0.61) ACHETDP1CYP2A6IDO1ALDH1A1
SCHEMBL4950820 0.75 TSHR (0.50) TDP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10862 0.75
SCHEMBL3814841 0.75
SCHEMBL2430668 0.75 TSHR (0.50) TDP1ALDH1A1SMN1; SMN2TSHR

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 36 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
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-1250300-B1 ALKYLATION PROCESS OPTATECH CORP (FI) 2004-12-15 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-5773676-A MULTISTAGE PROCESS PHILLIPS PETROLEUM COMPANY (US) 1998-06-30 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 (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 2987/4885TDP1 3892/4885CYP2A6 1309/4885

“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.