SCHEMBL340393

SCHEMBL340393

CCOC(=O)c1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
HPGD P15428 1/20 0.72
SMPD1 P17405 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B2 P37059 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.57
APP P05067 1/20 0.57
RXRA P19793 1/20 0.57

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
SCHEMBL4403626 0.93 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL2087641 0.92 NPC1 (0.71) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL4279981 0.91 HSD17B10 (0.61) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL9356016 0.88 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL11286951 0.88 NPC1 (0.78) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL2063068 0.88 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL5750152 0.88 NPC1 (0.56) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL1810999 0.87 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL9597843 0.87 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL13434462 0.87 NPC1 (0.55) SMN1; SMN2NPC1RAB9AHPGDSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
CN-103347859-B Synthesis and Anticancer Activity of Aryl and Heteroaryl Quinoline Derivatives EFFICIENT PHARMA MANAGEMENT CORP. (CN) 2015-12-02 CN disclosed
CN-103347859-A Synthesis and Anticancer Activity of Aryl and Heteroaryl Quinoline Derivatives EFFICIENT PHARMA MAN CORP 2013-10-09 CN disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-7745431-B2 Pharmaceutical composition of 1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7-methoxy-8-hydroxy-5H-2,3-benzodiazepine and uses thereof VELA ACQUISITION CORPORATION (US) 2010-06-29 US disclosed
EP-1581206-A4 TREATMENT OF INFLAMMATORY DISORDERS WITH 2,3-BENZODIAZEPINES VELA ACQUISITION CORP (US) 2009-01-07 EP 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
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US 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-6638928-B1 Benzodiazepines administered for irritable bowel syndrome and nonulcer dyspepsia. VELA PHARMACEUTICALS, INC. 2003-10-28 US disclosed
EP-0931119-B1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO LTD (KR) 2001-12-05 EP disclosed
EP-0931119-A1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1999-07-28 EP disclosed
US-5755997-A Chiral compounds with liquid crystalline nature SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1998-05-26 US disclosed
WO-1998014529-A1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1998-04-09 WO disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 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-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines LTB4R2, LTB4R, PTGER4 SMN1; SMN2 3787/4885NPC1 1480/4885RAB9A 2968/4885
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines OPRL1, OPRD1, GABRR1 SMN1; SMN2 2282/4885NPC1 844/4885RAB9A 1836/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 SMN1; SMN2 3441/4885NPC1 874/4885RAB9A 546/4885

“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.