SCHEMBL15520394

SCHEMBL15520394

CC(OC1CCCC1)c1ccc(O)c(C(C)OC2CCCC2)c1C(C)OC1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL30409668 0.98 TRPM8 (0.33) PTGS1PTGS2TRPM8KDM4EL3MBTL1
SCHEMBL1837614 0.98 TRPM8 (0.33) PTGS1PTGS2TRPM8KDM4EL3MBTL1
SCHEMBL15519291 0.86 GABRA1 (0.35) PTGS1PTGS2KDM4EL3MBTL1NPSR1
SCHEMBL30409561 0.84 GABRA1 (0.34) PTGS1NPSR1CYP19A1LMNAMEN1
SCHEMBL1837910 0.84 GABRA1 (0.34) PTGS1NPSR1CYP19A1LMNAMEN1
SCHEMBL1846694 0.77 GABRA1 (0.47) L3MBTL1LMNAMEN1KMT2ASLC6A2
SCHEMBL1837157 0.75 GABRA1 (0.46) KDM4ENPSR1CYP19A1LMNAMEN1
SCHEMBL1834041 0.71 ADRB2 (0.35) TRPM8
SCHEMBL1841094 0.70 ADRB2 (0.34) TRPM8LMNAMEN1KMT2A
SCHEMBL1834148 0.68 ADRB2 (0.31) TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 — — US disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 — — EP disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 — — WO disclosed
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 — — EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 — — EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 — — EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 — — EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 — — EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 — — US disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 — — US disclosed
EP-2980066-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2016-02-03 — — EP disclosed
US-9035097-B2 Aminoethylation process having improved yield of aryloxyalkylene amine compounds and reduced urea by-products CHEVRON ORONITE COMPANY LLC (US) 2015-05-19 — — US disclosed
US-20140073814-A1 AMINOETHYLATION PROCESS HAVING IMPROVED YIELD OF ARYLOXYALKYLENE AMINE COMPOUNDS AND REDUCED UREA BY-PRODUCTS CHEVRON ORONITE COMPANY LLC (US) 2014-03-13 — — US disclosed
US-20080279768-A1 Bifunctional Metal Chelating Conjugates MALLINCKRODT LLC 2008-11-13 — — 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 (4 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-20140073814-A1 AMINOETHYLATION PROCESS HAVING IMPROVED YIELD OF ARYLOXYALKYLENE AMINE COMPOUNDS AND REDUCED UREA BY-PRODUCTS SRM, ODC1, DDC PTGS1 3696/4885PTGS2 2407/4885TRPM8 4640/4885
US-20080279768-A1 Bifunctional Metal Chelating Conjugates SLC30A5, SLC39A3, SLC30A6 PTGS1 3954/4885PTGS2 3356/4885TRPM8 2659/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A PTGS1 1967/4885PTGS2 1577/4885TRPM8 2696/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 PTGS1 1886/4885PTGS2 1862/4885TRPM8 3836/4885

“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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