SCHEMBL3714917

SCHEMBL3714917

N#Cc1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.68
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MAOA P21397 2/20 0.59
FFAR1 O14842 1/20 0.56
LTA4H P09960 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CYP19A1 P11511 2/20 0.52
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
ABCB1 P08183 1/20 0.52
HPGD P15428 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
NAAA Q02083 1/20 0.50

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
SCHEMBL7425998 0.93 MAOB (0.58) MAOBNPC1RAB9AMAOAFFAR1
SCHEMBL8806782 0.92 MAOB (0.78) MAOBNPC1RAB9AMAOAFFAR1
SCHEMBL7302933 0.91 MAOB (0.66) MAOBNPC1RAB9AMAOAFFAR1
SCHEMBL6061937 0.89 MAOB (0.64) MAOBNPC1RAB9AMAOAFFAR1
SCHEMBL6955431 0.88 NAAA (0.66) MAOBNPC1RAB9AMAOAFFAR1
SCHEMBL6961363 0.88 NAAA (0.66) MAOBNPC1RAB9AMAOAFFAR1
SCHEMBL9456979 0.86 NPC1 (0.80) MAOBNPC1RAB9AMAOAFFAR1
SCHEMBL5297574 0.84 MAOB (0.66) MAOBLTA4HMMP2
SCHEMBL6957748 0.83 NPC1 (0.51) MAOBNPC1RAB9AMAOAFFAR1
SCHEMBL5280900 0.82 KCNA3 (0.67) MAOBLTA4HMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2019-05-30 US disclosed
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 US disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 US disclosed
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN disclosed
CN-102329267-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-25 CN disclosed
CN-102311387-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-11 CN disclosed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP 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-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 MAOB 2329/4885NPC1 729/4885RAB9A 1106/4885
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 MAOB 2329/4885NPC1 729/4885RAB9A 1106/4885

“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.