P-Xylene

P-Xylene

SCHEMBL1700858

Cc1ccc(C)cc1.c1ccncc1.c1ccncc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
TSHR P16473 2/20 0.56
NAPRT Q6XQN6 1/20 0.56
ACHE P22303 3/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
HPGD P15428 2/20 0.42
NOTUM Q6P988 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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 SCHEMBL27431590 1.00 TDP1 (0.56) TDP1TSHRNAPRTACHELMNA
P-Xylene SCHEMBL93217 0.97 TDP1 (0.53) TDP1TSHRNAPRTACHELMNA
P-Xylene SCHEMBL10614849 0.97 TDP1 (0.53) TDP1TSHRNAPRTACHELMNA
P-Xylene SCHEMBL29229140 0.97 TDP1 (0.53) TDP1TSHRNAPRTACHELMNA
P-Xylene SCHEMBL20640077 0.94 TDP1 (0.50) TDP1TSHRNAPRTACHELMNA
Toluene SCHEMBL434901 0.91 ACHE (0.65) TDP1TSHRNAPRTACHELMNA
Pyridine SCHEMBL5590769 0.91 TSHR (0.53) TDP1TSHRNAPRTACHELMNA
SCHEMBL19443810 0.88 TSHR (0.61) TDP1TSHRNAPRTACHELMNA
Toluene SCHEMBL27614086 0.88 ACHE (0.61) TDP1TSHRNAPRTACHELMNA
Toluene SCHEMBL27623492 0.88 ACHE (0.61) TDP1TSHRNAPRTACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582741-B1 BORONATED POLYMERS UNIV TWENTE (NL) 2016-07-27 EP disclosed
CN-104109712-A Methods and materials using signaling probes CHROMOCELL CORP 2014-10-22 CN disclosed
US-20130157926-A1 BORONATED POLYMERS UNIVERSITEIT TWENTE (NL) 2013-06-20 US disclosed
EP-2582741-A2 BORONATED POLYMERS Universiteit Twente (NL) 2013-04-24 EP disclosed
WO-2011159161-A2 BORONATED POLYMERS UNIVERSITEIT TWENTE (NL) 2011-12-22 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 (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-20130157926-A1 BORONATED POLYMERS PHB1, ABCB11, PHB2 TDP1 215/4885TSHR 2215/4885NAPRT 2212/4885

“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.