Sugi Predict

Sugi Predict / Compounds / SCHEMBL6907235

SCHEMBL6907235

SCHEMBL6907235

CCCCCOc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.62
▸ LTA4H P09960 5/20 0.60
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TP53 P04637 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PLA2G4B P0C869 1/20 0.53
▸ ALDH3A1 P30838 1/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ KCNH2 Q12809 1/20 0.51
▸ HRH3 Q9Y5N1 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
SCHEMBL11662072 0.98 NR5A1 (0.66) NR5A1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL6122097 0.98 NR5A1 (0.66) NR5A1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL5599322 0.98 NR5A1 (0.66) NR5A1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL3790721 0.96 NPC1 (0.61) NR5A1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7185520 0.94 NPC1 (0.62) NR5A1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL14264671 0.92 RARB (0.61) NR5A1LTA4HNPC1RAB9ASMN1; SMN2
Butyl Chloride SCHEMBL9704868 0.89 NPC1 (0.56) NR5A1LTA4HNPC1RAB9ASMN1; SMN2
Dimethylamine SCHEMBL3444887 0.89 DRD4 (0.56) NR5A1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL9770302 0.89 ALDH3A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH3A1DRD2
1-Butyloxy-4-Pentoxybenzene SCHEMBL12827001 0.89 NR5A1 (0.75) NR5A1LTA4HNPC1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 — — US claimed
CN-111233752-B Decarboxylation in-situ methylation method of alkyl active carboxylic ester 中国科学技术大学 2021-07-09 — — CN disclosed
US-20200223871-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2020-07-16 — — US disclosed
CN-111233752-A Decarboxylation in-situ methylation method of alkyl active carboxylic ester 中国科学技术大学 2020-06-05 — — CN disclosed
US-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 — — US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
CN-102895230-A Antituberculous composition comprising oxazole compounds OTSUKA PHARMA CO LTD 2013-01-30 — — CN disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 — — US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 — — US disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 — — US disclosed
CN-101277740-A Antituberculous compositions comprising * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-10-01 — — CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 — — CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 — — CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 — — CN disclosed
WO-2008013963-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT (US) 2008-01-31 — — WO disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
US-6762315-B1 SIMPLIFIED, HIGH PURITY COUPLING INVOLVING METALLIZED AND BORONIC ESTER ARYL DERIVATIVES CLARIANT GMBH (DE) 2004-07-13 — — US disclosed
US-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 — — US disclosed
US-3939113-A ANTHRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1976-02-17 — — 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 (4 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 NR5A1 3730/4885LTA4H 79/4885NPC1 770/4885
US-20200223871-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 NR5A1 2453/4885LTA4H 2113/4885NPC1 1309/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 NR5A1 790/4885LTA4H 192/4885NPC1 2902/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 NR5A1 3260/4885LTA4H 112/4885NPC1 813/4885

“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.