SCHEMBL2796170

SCHEMBL2796170

CCCCCCCC/C=C\CCCCCCCC(=O)OC(CNC(C)C)COc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 5/20 0.54
▸ ADRB2 P07550 4/20 0.50
▸ ADRB1 P08588 4/20 0.50
▸ SIGMAR1 Q99720 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2D6 P10635 3/20 0.50
▸ SLC6A4 P31645 3/20 0.50
▸ HTR2B P41595 3/20 0.50
▸ ADRB3 P13945 3/20 0.50
▸ HTR2A P28223 3/20 0.50
▸ HTR2C P28335 3/20 0.50
▸ HTR6 P50406 3/20 0.50
▸ SCN1A P35498 2/20 0.50
▸ SLC10A1 Q14973 2/20 0.50
▸ SCN2A Q99250 2/20 0.50
▸ SCN3A Q9NY46 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ LMNA P02545 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
SCHEMBL11025259 0.94 NR2E1 (0.60) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1
SCHEMBL7770898 0.94 NR2E1 (0.60) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1
SCHEMBL14107149 0.91 NR2E1 (0.63) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1
SCHEMBL22354579 0.87 NR2E1 (0.67) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1
Oleic Acid SCHEMBL2796167 0.84 ADRB2 (0.64) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1
Oleic Acid SCHEMBL2796171 0.84 ADRB2 (0.64) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1
SCHEMBL25587771 0.82 NR2E1 (0.68) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1
SCHEMBL13265580 0.80 NR2E1 (0.57) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1
SCHEMBL10782382 0.80 ADRB2 (0.56) ADRB2ADRB1ALDH1A1CYP1A2CYP2D6
Propranolol SCHEMBL10494989 0.79 ADRB2 (0.69) NR2E1ADRB2ADRB1SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047604-A1 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF HORIZON ORPHAN LLC 2022-02-17 — — US disclosed
US-10987357-B2 Aerosolized fluoroquinolones and uses thereof Horizon Orphan, LLC (US) 2021-04-27 — — US disclosed
US-20160279138-A1 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF RAPTOR PHARMACEUTICALS, INC. (US) 2016-09-29 — — US disclosed
US-20140066441-A1 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2014-03-06 — — US disclosed
US-8546423-B2 Aerosolized fluoroquinolones and uses thereof MPEX PHARMACEUTICALS, INC. (US) 2013-10-01 — — US disclosed
US-8524734-B2 Aerosolized fluoroquinolones and uses thereof MPEX PHARMACEUTICALS, INC. (US) 2013-09-03 — — US disclosed
US-8524735-B2 Aerosolized fluoroquinolones and uses thereof MPEX PHARMACEUTICALS, INC. (US) 2013-09-03 — — US disclosed
EP-2594272-A2 Aerosolized fluoroquinolones and uses thereof MPEX PHARMACEUTICALS, INC. (US) 2013-05-22 — — EP disclosed
US-8357696-B2 Aerosolized fluoroquinolones and uses thereof MPEX PHARMACEUTICALS, INC. (US) 2013-01-22 — — US disclosed
US-7838532-B2 Aerosolized fluoroquinolones and uses thereof MPEX PHARMACEUTICALS, INC. (US) 2010-11-23 — — US disclosed
US-20100166673-A1 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-07-01 — — US disclosed
US-20100158957-A1 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-24 — — US disclosed
US-20100037890-A1 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-02-18 — — US disclosed
US-20100040560-A1 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-02-18 — — US disclosed
EP-1901749-A2 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-03-26 — — EP disclosed
WO-2007095156-A2 TASTE MASKING OF AEROSOLIZED FLUOROQUINOLONES MPEX PHARMACEUTICALS, INC. (US) 2007-08-23 — — WO disclosed
US-20060276483-A1 Aerosolized fluoroquinolones and uses thereof HORIZON THERAPEUTICS U.S. HOLDING LLC 2006-12-07 — — US disclosed
WO-2006125132-A2 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2006-11-23 — — 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-20100166673-A1 AEROSOLIZED FLUOROQUINOLONES AND USES THEREOF NQO2, IFNG, RECQL NR2E1 4124/4885ADRB2 1592/4885ADRB1 1483/4885

“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.

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