SCHEMBL850986

SCHEMBL850986

C=CCCCCCCNC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
PAOX Q6QHF9 1/20 0.40
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
TRPA1 O75762 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL19774665 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL18317102 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL3120998 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL3123155 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL849557 1.00
SCHEMBL1454063 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL1454187 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL3118059 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL1454255 1.00 TSHR (0.52) TSHREPHX1ALDH1A1LMNAPAOX
SCHEMBL826160 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390344-B1 IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES IFP ENERGIES NOW (FR) 2020-12-02 EP disclosed
WO-2017102659-A1 IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES IFP Energies Nouvelles (FR) 2017-06-22 WO disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
CN-100357330-C Polar group-containing olefin copolymer, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2007-12-26 CN disclosed
CN-100335509-C Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2007-09-05 CN disclosed
EP-1734061-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS, INC. (JP) 2006-12-20 EP disclosed
CN-1737016-A Polar group-containing olefin copolymer, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-02-22 CN disclosed
CN-1737017-A Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-02-22 CN disclosed
CN-1219800-C Polar group-containing olefin copolymer, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2005-09-21 CN disclosed
US-20040122192-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. 2004-06-24 US disclosed
US-20020156207-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2002-10-24 US disclosed
CN-1342715-A Polar group-containing olefin copolymer, process for producing the same, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2002-04-03 CN disclosed
EP-1186619-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition contaning the copolymer, and uses thereof Mitsui Chemicals, Inc. (JP) 2002-03-13 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 (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-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TSHR 914/4885EPHX1 4315/4885ALDH1A1 836/4885

“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.