SCHEMBL2845183

SCHEMBL2845183

CCC(=O)c1ccc(OC)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
RAB9A P51151 2/20 0.67
LMNA P02545 1/20 0.67
MAPK1 P28482 1/20 0.67
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.55
HRH3 Q9Y5N1 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 2/20 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
SCHEMBL5729116 0.87 RAB9A (0.63) HTTRAB9ALMNAMAPK1MEN1
SCHEMBL12780430 0.86 MEN1 (0.59) HTTRAB9ALMNAMAPK1MEN1
SCHEMBL2848243 0.86 HTT (0.67) HTTRAB9ALMNAMAPK1MEN1
SCHEMBL6331262 0.86 HTT (0.67) HTTRAB9ALMNAMAPK1MEN1
SCHEMBL13003860 0.85 HTT (0.65) HTTRAB9ALMNAMAPK1MEN1
SCHEMBL773681 0.85 HTT (0.65) HTTRAB9ALMNAMAPK1MEN1
SCHEMBL29620834 0.85 HTT (0.65) HTTRAB9ALMNAMAPK1MEN1
SCHEMBL11221996 0.84 HTT (0.59) HTTRAB9ALMNAMAPK1MEN1
SCHEMBL515746 0.84 MEN1 (0.73) RAB9AMAPK1MEN1KMT2AMAPT
SCHEMBL29578705 0.84 MEN1 (0.73) RAB9AMAPK1MEN1KMT2AMAPT

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-101283466-A Fluorinated additives for lithium ion batteries SOLVAY FLUOR GMBH (DE) 2008-10-08 CN claimed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
WO-2013097773-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-07-04 WO disclosed
CN-102668232-A Lithium-sulfur battery SOLVAY FLUOR GMBH 2012-09-12 CN disclosed
CN-102316732-A Aza and [4,5-b] indole and methods of use MEDIVATION TECHNOLOGIES INC 2012-01-11 CN disclosed
CN-102271508-A Pyrido (4,3-b) indoles containing rigid moieties 2011-12-07 CN disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
CN-101283466-A Fluorinated additives for lithium ion batteries SOLVAY FLUOR GMBH (DE) 2008-10-08 CN disclosed
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 US disclosed
EP-0200942-A2 New derivatives of an aminoketone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-11-12 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A HTT 4752/4885RAB9A 554/4885LMNA 1872/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A HTT 4722/4885RAB9A 1874/4885LMNA 1091/4885

“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.