SCHEMBL1285997

SCHEMBL1285997

C=C(CCCCCN1CC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.52
TBXAS1 P24557 2/20 0.50
HTR7 P34969 5/20 0.44
HTR1A P08908 2/20 0.44
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
KCNH2 Q12809 1/20 0.40
DRD2 P14416 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL525069 1.00 PAOX (0.52) PAOXTBXAS1HTR7HTR1ACYP1A2
SCHEMBL1278421 1.00 PAOX (0.52) PAOXTBXAS1HTR7HTR1ACYP1A2
SCHEMBL10597308 1.00 PAOX (0.52) PAOXTBXAS1HTR7HTR1ACYP1A2
SCHEMBL10597081 1.00 PAOX (0.52) PAOXTBXAS1HTR7HTR1ACYP1A2
SCHEMBL1285649 0.98 PAOX (0.48) PAOXTBXAS1HTR7HTR1ACYP1A2
SCHEMBL504157 0.92 SMN1; SMN2 (0.50) PAOXTBXAS1HTR7HTR1ACYP1A2
SCHEMBL7113039 0.86 SMN1; SMN2 (0.60) PAOXTBXAS1HTR1ACYP1A2MAPK1
SCHEMBL1275571 0.84 SMN1; SMN2 (0.62) TBXAS1HTR1ACYP1A2MAPK1SMN1; SMN2
SCHEMBL6473449 0.83 GLA (0.42) PAOXTBXAS1HTR7HTR1ACYP1A2
SCHEMBL19412256 0.82 SMN1; SMN2 (0.66) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625217-B1 CHAIN-EXTENDED POLYSILOXANE CROSSLINKERS WITH DANGLING HYDROPHILIC POLYMER CHAINS NOVARTIS AG (CH) 2018-07-04 EP claimed
EP-2625218-B1 WATER-PROCESSABLE SILICONE-CONTAINING PREPOLYMERS AND USES THEREOF NOVARTIS AG (CH) 2018-04-25 EP claimed
EP-2598937-B1 AMPHIPHILIC POLYSILOXANE PREPOLYMERS AND USES THEREOF NOVARTIS AG (CH) 2016-06-29 EP claimed
US-20120088861-A1 WATER-PROCESSABLE SILICONE-CONTAINING PREPOLYMERS AND USES THEREOF ALCON INC. (CH) 2012-04-12 US claimed
US-9684095-B2 Hydrophilized carbosiloxane vinylic monomers NOVARTIS AG (CH) 2017-06-20 US disclosed
US-9637582-B2 Polymerizable polysiloxanes with hydrophilic substituents NOVARTIS AG (CH) 2017-05-02 US disclosed
US-9500775-B2 Actinically-crosslinkable amphiphilic prepolymers NOVARTIS AG (CH) 2016-11-22 US disclosed
US-20160090432-A1 POLYMERIZABLE POLYSILOXANES WITH HYDROPHILIC SUBSTITUENTS ALCON INC. (CH) 2016-03-31 US disclosed
US-20150369962-A1 ACTINICALLY-CROSSLINKABLE AMPHIPHILIC PREPOLYMERS ALCON INC. (CH) 2015-12-24 US disclosed
US-9187601-B2 Water-processable silicone-containing prepolymers and uses thereof NOVARTIS AG (CH) 2015-11-17 US disclosed
US-20150309210-A1 HYDROPHILIZED CARBOSILOXANE VINYLIC MONOMERS ALCON INC. (CH) 2015-10-29 US disclosed
US-9103965-B2 Amphiphilic siloxane-containing vinylic monomers and uses thereof NOVARTIS AG (CH) 2015-08-11 US disclosed
US-20120088861-A1 WATER-PROCESSABLE SILICONE-CONTAINING PREPOLYMERS AND USES THEREOF ALCON INC. (CH) 2012-04-12 US disclosed
US-20110063567-A1 PREPOLYMERS SUITABLE FOR MAKING ULTRA-VIOLET ABSORBING CONTACT LENSES ALCON INC. (CH) 2011-03-17 US disclosed
US-7384984-B2 Reactive hydrophilic oligomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-06-10 US disclosed
US-7074858-B2 Reactive oligomers HEILMANN STEVEN M 2006-07-11 US disclosed
US-7015286-B2 Reactive oligomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-21 US disclosed
US-20050131148-A1 Reactive hydrophilic oligomers 3M INNOVATIVE PROPERTIES COMPANY 2005-06-16 US disclosed
US-20040059044-A1 Oligomeric dyes and use thereof 3M INNOVATIVE PROPERTIES COMPANY 2004-03-25 US disclosed
US-20030212210-A1 Reactive oligomers 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 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 (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-20150309210-A1 HYDROPHILIZED CARBOSILOXANE VINYLIC MONOMERS VCL, MACF1, HCAR1 PAOX 295/4885TBXAS1 1697/4885HTR7 468/4885

“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.