Sugi Predict

Sugi Predict / Compounds / 1,2-Dimethoxybenzene

1,2-Dimethoxybenzene

1,2-Dimethoxybenzene

SCHEMBL3661985

[2H]C([2H])([2H])Oc1ccccc1OC([2H])([2H])[2H]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.61
▸ CA2 P00918 3/20 0.61
▸ CA7 P43166 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ CA4 P22748 2/20 0.61
▸ CA12 O43570 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ APP P05067 1/20 0.41
▸ ENPP2 Q13822 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.37
▸ ORAI2 Q96SN7 1/20 0.37

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
1,2-Dimethoxybenzene SCHEMBL31501593 1.00 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL29441915 0.82 — —
Guaiacol SCHEMBL3221960 0.82 — —
SCHEMBL31672788 0.82 — —
SCHEMBL30625042 0.80 SMN1; SMN2 (0.43) CA1CA2CA7CA9CA4
SCHEMBL3232989 0.78 HTR1A (0.58) ALDH1A1MAPK1L3MBTL1TDP1APP
SCHEMBL22090362 0.78 IRAK4 (0.58) ALDH1A1HTTL3MBTL1TP53TSHR
SCHEMBL29677113 0.78 IRAK4 (0.58) ALDH1A1HTTL3MBTL1TP53TSHR
SCHEMBL30721192 0.78 ALDH1A1 (0.41) CA1CA2CA7CA9CA4
SCHEMBL30868961 0.78 ENPP2 (0.72) CA1CA2CA7CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084464-B2 Tetrahydroisoquinoline derivatives CONCERT PHARMACEUTICALS, INC. (US) 2011-12-27 — — US disclosed
US-8084464-B2 Tetrahydroisoquinoline derivatives CONCERT PHARMACEUTICALS, INC. (US) 2011-12-27 — — US disclosed
EP-2231155-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Concert Pharmaceuticals Inc. (US) 2010-09-29 — — EP disclosed
US-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-07-30 — — US disclosed
US-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-07-30 — — US disclosed
WO-2009079637-A1 TETRAHYDROISOQUINOLINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2009-06-25 — — WO disclosed
US-20090088416-A1 DEUTERIUM-ENRICHED LAPAQUISTAT PROTIA, LLC (US) 2009-04-02 — — US disclosed
US-20090062299-A1 DEUTERIUM-ENRICHED DOXAZOSIN PROTIA, LLC (US) 2009-03-05 — — 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 (3 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-20090088416-A1 DEUTERIUM-ENRICHED LAPAQUISTAT LPXN, SLC10A2, SLC10A1 CA1 1781/4885CA2 2820/4885CA7 3217/4885
US-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES HCRTR2, HCRTR1, OXTR CA1 1117/4885CA2 674/4885CA7 3358/4885
US-20090062299-A1 DEUTERIUM-ENRICHED DOXAZOSIN REN, ADRA1D, QDPR CA1 2964/4885CA2 1241/4885CA7 2031/4885

“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.