SCHEMBL359535

SCHEMBL359535

CCCCCCCC1OCCN1CCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.42
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR5 Q9H228 3/20 0.36
GBA1 P04062 1/20 0.34
S1PR4 O95977 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK2 Q9NRA0 3/20 0.33
SPHK1 Q9NYA1 3/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GBA2 Q9HCG7 2/20 0.33

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
SCHEMBL17838104 0.93 EPHX1 (0.40) EPHX1ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL17854776 0.93 EPHX1 (0.34) EPHX1ALDH1A1GBA1GBA2
SCHEMBL18393518 0.89 EPHX1 (0.34) EPHX1ALDH1A1GBA1GBA2
SCHEMBL7060092 0.87 EPHX1 (0.46) EPHX1ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL8863480 0.84 GBA2 (0.38) GBA1MEN1KMT2ASIGMAR1GBA2
SCHEMBL11036103 0.84 EPHX1 (0.43) EPHX1ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL9727548 0.81 EPHX1 (0.47) EPHX1ALDH1A1S1PR1S1PR3S1PR5
SCHEMBL11703512 0.81 ALDH1A1 (0.52) EPHX1ALDH1A1GBA1MEN1HTT
SCHEMBL6445513 0.77 DRD2 (0.33) ALDH1A1GBA2
SCHEMBL8863458 0.77 HRH3 (0.34) ALDH1A1HTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183304-A1 URETDIONE BASED POLYURETHANE COMPOSITIONS COVESTRO LLC (US) 2019-09-26 WO claimed
US-20190292305-A1 URETDIONE BASED POLYURETHANE COMPOSITIONS COVESTRO LLC 2019-09-26 US claimed
US-6613186-B2 Tetrahydrofuran, a thermoplastic resin soluble in tetrahydrofuran, a propellant, and a stabilizing composition. THE SHERWIN-WILLIAMS COMPANY 2003-09-02 US claimed
EP-1307502-A2 AEROSOL SOLVENT CEMENT COMPOSITION THE SHERWIN-WILLIAMS COMPANY (US) 2003-05-07 EP claimed
US-20020043334-A1 Aerosol solvent cement composition SHERWIN-WILLIAMS COMPANY, THE 2002-04-18 US claimed
WO-2002010263-A2 AEROSOL SOLVENT CEMENT COMPOSITION THE SHERWIN-WILLIAMS COMPANY (US) 2002-02-07 WO claimed
US-11952493-B2 Moisture-curing polyurethane composition containing oxazolidine SIKA TECHNOLOGY AG (CH) 2024-04-09 US disclosed
EP-3898619-B1 MOISTURE-CURABLE POLYURETHANE COMPOSITION CONTAINING OXAZOLIDINE SIKA TECH AG (CH) 2023-02-08 EP disclosed
US-20220025176-A1 MOISTURE-CURING POLYURETHANE COMPOSITION CONTAINING OXAZOLIDINE SIKA TECHNOLOGY AG (CH) 2022-01-27 US disclosed
EP-3898619-A1 MOISTURE-CURING POLYURETHANE COMPOSITION CONTAINING OXAZOLIDINE Sika Technology AG (CH) 2021-10-27 EP disclosed
EP-3830161-A1 COMPOSITION CONTAINING POLYURETHANE FOR PRODUCING RESIN Bostik SA (FR) 2021-06-09 EP disclosed
WO-2020126841-A1 MOISTURE-CURING POLYURETHANE COMPOSITION CONTAINING OXAZOLIDINE SIKA TECHNOLOGY AG (CH) 2020-06-25 WO disclosed
WO-2020021203-A1 COMPOSITION CONTAINING POLYURETHANE FOR PRODUCING RESIN BOSTIK SA (FR) 2020-01-30 WO disclosed
CN-101044179-A Coating composition based on thiol-NCO curing AKZO NOBEL COATINGS INT BV (NL) 2007-09-26 CN disclosed
WO-2007104856-A1 PROCESS FOR DEACIDIFICATION OF A GAS BY MEANS OF AN ABSORBENT SOLUTION WITH FRACTIONATED REGENERATION BY HEATING IFP (FR) 2007-09-20 WO disclosed
EP-1789464-A1 COATING COMPOSITION BASED ON THIOL-NCO CURING Akzo Nobel Coatings International BV (NL) 2007-05-30 EP disclosed
WO-2006030029-A1 COATING COMPOSITION BASED ON THIOL-NCO CURING AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2006-03-23 WO disclosed
US-6613186-B2 Tetrahydrofuran, a thermoplastic resin soluble in tetrahydrofuran, a propellant, and a stabilizing composition. THE SHERWIN-WILLIAMS COMPANY 2003-09-02 US disclosed
US-20020043334-A1 Aerosol solvent cement composition SHERWIN-WILLIAMS COMPANY, THE 2002-04-18 US disclosed
US-5639400-A CONTAINS A OXAZOLINE COMPOUND AS A STABILIZER TO REDUCE THE DECLINE OF PHOTOSTIMULATED LUMINESCENCE INTENSITIES OF STORAGE PHOSPHOR EASTMAN KODAK COMPANY (US) 1997-06-17 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-20190292305-A1 URETDIONE BASED POLYURETHANE COMPOSITIONS PUF60, UTS2R, UTP20 EPHX1 431/4885ALDH1A1 801/4885S1PR1 3717/4885

“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.