SCHEMBL3907003

SCHEMBL3907003

CCCC(O)c1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
GRIN2B Q13224 2/20 0.50
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL15195819 1.00 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL13850026 1.00 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6055156 0.92 AOC3 (0.60) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL11616745 0.90 AOC3 (0.59) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6490320 0.86 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL801059 0.86 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL3920742 0.86 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL3920362 0.85 AOC3 (0.60) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6055198 0.85 MAPK1 (0.50) AOC3L3MBTL1
SCHEMBL18293363 0.85 AOC3 (0.65) AOC3L3MBTL1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed
CN-1297526-C Asymmetric diether compound and its uses CHINA PETROLEUM & CHEMICAL (CN) 2007-01-31 CN disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
CN-1769255-A Asymmetric diether compound and its uses CHINA PETROLEUM & CHEMICAL (CN) 2006-05-10 CN disclosed
EP-1300381-B1 Process for preparing optically active alcohols JAPAN SCIENCE & TECH AGENCY (JP) 2006-03-08 EP disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP disclosed
US-6887820-B1 For producing optically active secondary alcohols, producing optically active compounds useful for various utilities such as intermediates for synthesizing pharmaceutical agents, liquid crystal materials and agents for optical resolution JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-05-03 US disclosed
EP-1300381-A1 Process for preparing optically active alcohols Japan Science and Technology Corporation (JP) 2003-04-09 EP disclosed
US-6184381-B1 USEFUL AS INTERMEDIATES FOR SYNTHESIZING PHARMACEUTICAL CHEMICALS, LIQUID CRYSTAL MATERIALS AND AGENTS FOR OPTICAL RESOLUTION, REDUCTION, KETONES TO ALCOHOL, IMINES TO AMINES JAPAN SCIENCE & TECHNOLOGY CORP. (JP) 2001-02-06 US disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
US-4094994-A ANTICANCER AGENTS, TUMOR INHIBITION, HORMONE-DEPENDENT CARCINOMAS KLINGE PHARMA GMBH (DT) 1978-06-13 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 (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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 AOC3 455/4885L3MBTL1 1515/4885CHRM2 13/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 AOC3 1100/4885L3MBTL1 1886/4885CHRM2 73/4885

“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.