SCHEMBL3993752

SCHEMBL3993752

COc1ccccc1/C=C/CCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.58
TFEB P19484 1/20 0.57
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
BCHE P06276 1/20 0.55
GRIK1 P39086 1/20 0.53
GRIK2 Q13002 1/20 0.53
GRIK3 Q13003 1/20 0.53
TRPA1 O75762 1/20 0.51
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LY96 Q9Y6Y9 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAOB P27338 3/20 0.48
AR P10275 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
SCHEMBL3993756 1.00 NFE2L2 (0.58) NFE2L2TFEBKDM4ELMNANPC1
SCHEMBL8080168 0.88 LTB4R (0.54) NFE2L2TFEBKDM4ELMNANPC1
SCHEMBL8080171 0.88 LTB4R (0.54) NFE2L2TFEBKDM4ELMNANPC1
SCHEMBL22560176 0.88 LMNA (0.45) NFE2L2TFEBKDM4ELMNANPC1
SCHEMBL6121168 0.87 NFE2L2 (0.61) NFE2L2KDM4ELMNAMAOBCYP1A2
SCHEMBL21715394 0.85 LMNA (0.43) NFE2L2TFEBKDM4ELMNANPC1
SCHEMBL6112682 0.85 LMNA (0.43) NFE2L2TFEBKDM4ELMNANPC1
SCHEMBL21715393 0.85 LMNA (0.43) NFE2L2TFEBKDM4ELMNANPC1
SCHEMBL19132371 0.85 LMNA (0.43) NFE2L2TFEBKDM4ELMNANPC1
SCHEMBL1788985 0.85 NFE2L2 (0.52) NFE2L2TFEBKDM4ELMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350297-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
WO-2017046050-A1 LIQUID CLEANING AGENT HAVING OPTIMIZED SCENT HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046052-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046282-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046054-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046055-A1 PERFUME COMPOSITIONS COMPRISING MICROCAPSULES, FRAGRANCE MODULATOR COMPOUNDS AND FRAGRANCE RAW MATERIAL FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046051-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3350297-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
WO-2017046058-A1 PERFUME COMPOSITION HAVING ODOR MODULATOR COMPOUNDS FOR INCREASING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
EP-1556351-A4 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2007-07-25 EP disclosed
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 US disclosed
EP-1556351-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-07-27 EP disclosed
WO-2004005257-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 WO 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 (1 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-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, MC1R NFE2L2 2723/4885TFEB 3045/4885KDM4E 2148/4885

“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.