SCHEMBL6044447

SCHEMBL6044447

OCc1cc2c(c(OCc3ccccc3)c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.50
MAOA P21397 3/20 0.50
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GRM5 P41594 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
LIPE Q05469 1/20 0.38
STING1 Q86WV6 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HTR2C P28335 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
SCHEMBL6044542 0.86 MAOB (0.50) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL4909799 0.82 MAOB (0.49) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL16000138 0.82 MAOB (0.51) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL27451409 0.79 MAOB (0.43) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL20171129 0.77 HPGD (0.54) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL8907080 0.77 MAOB (0.41) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL8907076 0.77 MAOB (0.41) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL2800254 0.76 CYP3A4 (0.53) SMN1; SMN2ALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL15997018 0.76 MTNR1A (0.41) MAOBMAOASMN1; SMN2ALDH1A1TDP1
SCHEMBL3571979 0.76 LIPE (0.39) MAOBSMN1; SMN2ALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785080-B Uracil parent nucleus compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2024-10-11 CN disclosed
CN-118652422-A High-purity high-temperature-resistant anti-aging low-dielectric polyphenyl ether and preparation method thereof 四川大学 2024-09-17 CN disclosed
CN-118164855-A Preparation method of dibenzyl carbonate compound 中国石油化工股份有限公司 2024-06-11 CN disclosed
CN-112209838-B Preparation method of butenaphthol hydrochloride 鲁南制药集团股份有限公司 2023-02-17 CN disclosed
CN-113135977-B Tripterine-1, 2, 3-triazole derivative and preparation method and application thereof 沈阳药科大学 2022-04-22 CN disclosed
CN-113135977-A Tripterine-1, 2, 3-triazole derivative and preparation method and application thereof 沈阳药科大学 2021-07-20 CN disclosed
CN-112209838-A Preparation method of butenaphthol hydrochloride 鲁南制药集团股份有限公司 2021-01-12 CN disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
US-6586633-B1 Antifungal agents POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-07-01 US disclosed
EP-1112998-A1 AMINE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-07-04 EP disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 CN disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 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-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 MAOB 1688/4885MAOA 2278/4885NPC1 1475/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 MAOB 418/4885MAOA 184/4885NPC1 484/4885

“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.