SCHEMBL15519291

SCHEMBL15519291

CC(OC1CCCC1)c1cccc(O)c1C(C)OC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 4/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL30409561 0.98 GABRA1 (0.34) GABRA1GABRB2TSHRLMNACYP1A2
SCHEMBL1837910 0.98 GABRA1 (0.34) GABRA1GABRB2TSHRLMNACYP1A2
SCHEMBL15520394 0.86 PTGS1 (0.33) LMNAPTGS1SLC6A2HTR2BKMT2A
SCHEMBL1846694 0.85 GABRA1 (0.47) GABRA1GABRB2TSHRLMNACYP1A2
SCHEMBL1837614 0.84 TRPM8 (0.33) LMNACYP1A2PTGS1KMT2AMEN1
SCHEMBL30409668 0.84 TRPM8 (0.33) LMNACYP1A2PTGS1KMT2AMEN1
SCHEMBL1837157 0.84 GABRA1 (0.46) GABRA1GABRB2TSHRLMNACYP1A2
SCHEMBL1835938 0.75 TSHR (0.37) TSHRLMNAHPGDKMT2AMEN1
SCHEMBL1836666 0.74 TSHR (0.36) TSHRLMNAHPGDKMT2AMEN1
SCHEMBL7871934 0.72 ACP3 (0.44) CYP1A2SLC6A2

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 13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 GABRA1 2336/4885GABRB2 1357/4885TSHR 2444/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A GABRA1 4344/4885GABRB2 4073/4885TSHR 4410/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 GABRA1 3159/4885GABRB2 3492/4885TSHR 4594/4885

“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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