SCHEMBL7110777

SCHEMBL7110777

CC(=O)OCc1ccc(C(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
KMT2A Q03164 2/20 0.59
MAOB P27338 7/20 0.56
MAOA P21397 1/20 0.54
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL17253341 0.89 NPC1 (0.56) ALDH1A1KMT2AMAOBMAOALMNA
SCHEMBL132773 0.89 ALDH1A1 (0.78) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL100476 0.86 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL7201649 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AMAOBMAOALMNA
SCHEMBL2518098 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AMAOBMAOALMNA
SCHEMBL6666493 0.83 KMT2A (0.64) ALDH1A1KMT2AMAOBMAOALMNA
SCHEMBL10604973 0.83 ALDH1A1 (0.69) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL11315920 0.83 ALDH1A1 (0.69) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL126492 0.83 ALDH1A1 (0.69) ALDH1A1KMT2ALMNAMEN1CYP3A4
SCHEMBL4198688 0.83 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938235-B2 Compounds with neural protective effect, and preparation and use thereof GUANGZHOU MAGPIE PHARMACEUTICAL CO LTD (CN) 2018-04-10 US disclosed
US-20160326099-A1 COMPOUNDS WITH NEURAL PROTECTIVE EFFECT, AND PREPARATION AND USE THEREOF GUANGZHOU MAGPIE PHARMACEUTICAL CO., LTD (CN) 2016-11-10 US disclosed
WO-2015109935-A1 COMPOUNDS WITH NEURAL PROTECTIVE EFFECT, AND PREPARATION AND USE THEREOF GUANGZHOU MAGPIE PHARMACEUTICAL CO., LTD (CN) 2015-07-30 WO disclosed
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 ALDH1A1 1815/4885KMT2A 1725/4885MAOB 731/4885
US-20160326099-A1 COMPOUNDS WITH NEURAL PROTECTIVE EFFECT, AND PREPARATION AND USE THEREOF MAOA, MAOB, ACHE ALDH1A1 213/4885KMT2A 3153/4885MAOB 2/4885

“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.