SCHEMBL3854017

SCHEMBL3854017

CCC(C(C)=O)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
PDE4B Q07343 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL3247280 0.92 CYP3A4 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4282581 0.91 TSHR (0.54) TSHRCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14582854 0.90 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Ethylene SCHEMBL6410194 0.89 TSHR (0.51) TSHRCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14448350 0.87 MAPK1 (0.53) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL5488904 0.84 NPC1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14448347 0.83 TSHR (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8337903 0.83 SMPD1 (0.48) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL8323174 0.83 SMPD1 (0.48) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL7426404 0.81 MAPK1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581206-A4 TREATMENT OF INFLAMMATORY DISORDERS WITH 2,3-BENZODIAZEPINES VELA ACQUISITION CORP (US) 2009-01-07 EP disclosed
EP-1575521-A4 PHARMACEUTICAL COMPOSITION OF 1-(3-HYDROXY-4-METHOXYPHENYL)-4-METHYL-5-ETHYL-7,8-DIMETHOXY-5H-2,3-BENZODIAZEPINE AND USES THEROF VELA ACQUISITION CORP (US) 2008-04-30 EP disclosed
EP-1567162-A4 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES VELA ACQUISITION CORP (US) 2008-04-30 EP disclosed
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2007-02-08 US disclosed
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2007-02-08 US disclosed
EP-1689408-A1 TREATMENT OF INFLAMMATORY DISORDERS OF THE EPITHELIUM WITH LOW DOSE 2,3-BENZODIAZEPINES Vela Pharmaceuticals Inc. (US) 2006-08-16 EP disclosed
US-7022700-B2 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA PHARMACEUTICALS, INC. (US) 2006-04-04 US disclosed
EP-1581206-A1 TREATMENT OF INFLAMMATORY DISORDERS WITH 2,3-BENZODIAZEPINES Vela Pharmaceuticals Inc. (US) 2005-10-05 EP disclosed
EP-1575521-A2 PHARMACEUTICAL COMPOSITION OF 1-(3-HYDROXY-4-METHOXYPHENYL)-4-METHYL-5-ETHYL-7,8-DIMETHOXY-5H-2,3-BENZODIAZEPINE AND USES THEROF Vela Pharmaceuticals Inc. (US) 2005-09-21 EP disclosed
EP-1567162-A2 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES Vela Pharmaceuticals Inc. (US) 2005-08-31 EP disclosed
US-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US disclosed
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US disclosed
WO-2004050080-A1 TREATMENT OF INFLAMMATORY DISORDERS WITH 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
WO-2004050080-A1 TREATMENT OF INFLAMMATORY DISORDERS WITH 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
WO-2004050616-A2 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
WO-2004050616-A2 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
WO-2004050615-A2 METHOD OF INCREASING NEUTROPHIL PRODUCTION USING 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US disclosed
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US disclosed
US-6638928-B1 Benzodiazepines administered for irritable bowel syndrome and nonulcer dyspepsia. VELA PHARMACEUTICALS, INC. 2003-10-28 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 (5 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-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines LTB4R2, LTB4R, GABRA4 TUBB4A 529/4885TUBB 790/4885TUBA3C 1551/4885
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines LTB4R2, LTB4R, PTGER4 TUBB4A 366/4885TUBB 740/4885TUBA3C 1972/4885
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines OPRL1, OPRD1, GABRR1 TUBB4A 491/4885TUBB 580/4885TUBA3C 531/4885
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines GABBR2, GABBR1, GABRB3 TUBB4A 1136/4885TUBB 1544/4885TUBA3C 1322/4885
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines GABRR1, GABRA1, GABRA3 TUBB4A 488/4885TUBB 826/4885TUBA3C 858/4885

“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.