P-Xylene

P-Xylene

SCHEMBL2779991

Cc1ccc(C)cc1.OBO

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ ALDH1A1 P00352 7/20 0.47
▸ LMNA P02545 4/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ LPL P06858 1/20 0.47
▸ LIPG Q9Y5X9 1/20 0.47
▸ ORAI1 Q96D31 1/20 0.47
▸ ORAI2 Q96SN7 1/20 0.47
▸ ORAI3 Q9BRQ5 1/20 0.47
▸ TRPV6 Q9H1D0 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 4/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ PKM P14618 2/20 0.41

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
SCHEMBL337812 0.84 ACHE (0.77) ACHETDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL3322838 0.84 CES2 (0.58) ACHETDP1ALDH1A1LMNACES2
P-Xylene SCHEMBL28442305 0.82 ACHE (0.80) ACHETDP1ALDH1A1LMNACA2
P-Xylene SCHEMBL28540852 0.82 ACHE (0.80) ACHETDP1ALDH1A1LMNACA2
P-Xylene SCHEMBL6272681 0.82 ACHE (0.80) ACHETDP1ALDH1A1LMNACA2
P-Xylene SCHEMBL9720651 0.82 ACHE (0.80) ACHETDP1ALDH1A1LMNACA2
P-Xylene SCHEMBL28696945 0.82 ACHE (0.80) ACHETDP1ALDH1A1LMNACA2
Toluene SCHEMBL288803 0.82 ACHE (0.73) ACHETDP1ALDH1A1LMNACA2
P-Xylene SCHEMBL460348 0.82 ACHE (1.00) ACHETDP1ALDH1A1LMNACA2
P-Xylene SCHEMBL771 0.82 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377570-B2 Poly(arylenevinylene) and poly(heteroarylenevinylene) light emitting polymer and polymer light-emitting devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-02-19 — — US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 — — US disclosed
EP-1812493-A4 POLY(ARYLENEVINYLENE) AND POLY(HETEROARYLENEVINYLENE) LIGHT EMITTING POLYMERS AND POLYMER LIGHT-EMITTING DEVICES AGENCY SCIENCE TECH & RES (SG) 2008-12-31 — — EP disclosed
US-20080272691-A1 Poly(Arylenevinylene) and Poly(Heteroarylenevinylene) Light Emitting Polymers and Polymer Light-Emitting Devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-11-06 — — US disclosed
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 — — EP disclosed
EP-1812493-A1 POLY(ARYLENEVINYLENE) AND POLY(HETEROARYLENEVINYLENE) LIGHT EMITTING POLYMERS AND POLYMER LIGHT-EMITTING DEVICES Agency for Science, Technology and Research (SG) 2007-08-01 — — EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 — — WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 — — US disclosed
WO-2006049579-A1 POLY(ARYLENEVINYLENE) AND POLY(HETEROARYLENEVINYLENE) LIGHT EMITTING POLYMERS AND POLYMER LIGHT-EMITTING DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-05-11 — — 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 ACHE 3778/4885TDP1 1111/4885ALDH1A1 2942/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A ACHE 969/4885TDP1 1728/4885ALDH1A1 814/4885

“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.

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