SCHEMBL980709

SCHEMBL980709

CCC(CC)CCc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.54
▸ ESR2 Q92731 3/20 0.54
▸ SLC6A2 P23975 4/20 0.50
▸ ADRA2A P08913 3/20 0.50
▸ ADORA3 P0DMS8 3/20 0.50
▸ SLC6A3 Q01959 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CHRM2 P08172 2/20 0.50
▸ CHRM1 P11229 2/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ SHBG P04278 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ ADRB3 P13945 1/20 0.50
▸ HTR2C P28335 1/20 0.50

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
SCHEMBL983854 0.88 ESR1 (0.57) ESR1ESR2SLC6A2ADRA2AADORA3
SCHEMBL981695 0.86 ESR1 (0.60) ESR1ESR2SLC6A2ADRA2AADORA3
SCHEMBL28922777 0.85 ESR1 (0.43) ESR1ESR2SLC6A2ADRA2AADORA3
SCHEMBL28358797 0.83 ESR1 (0.57) ESR1ESR2SLC6A2ADRA2AADORA3
SCHEMBL31276978 0.82 TAAR1 (0.50) ALDH1A1LMNATP53CA2TAAR1
SCHEMBL982248 0.82 ESR1 (0.60) ESR1ESR2SLC6A2ADRA2AADORA3
SCHEMBL28626642 0.81 ESR1 (0.52) ESR1ESR2SLC6A2ADRA2AADORA3
SCHEMBL107785 0.81 ESR1 (0.52) ESR1ESR2SLC6A2ADRA2AADORA3
SCHEMBL11582747 0.81 ESR1 (0.52) ESR1ESR2SLC6A2ADRA2AADORA3
SCHEMBL980316 0.80 ESR1 (0.63) ESR1ESR2SLC6A2ADRA2AADORA3

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
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 — — EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 — — CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 — — WO disclosed
CN-116004290-A Method for preparing coal water slurry additive by using styrene tar 万华化学(宁波)有限公司 2023-04-25 — — CN disclosed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 — — EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 — — EP disclosed
EP-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 — — EP disclosed
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 — — US disclosed
EP-2147909-B1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-12-14 — — EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 — — US disclosed
US-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds SHINOHATA MASAAKI (JP) 2011-12-29 — — US disclosed
US-7977504-B2 Process for producing isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-12 — — US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 — — US disclosed
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-03-03 — — US disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 — — EP disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 — — EP disclosed
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 — — US disclosed
EP-2213658-A1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-08-04 — — EP disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 — — US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 — — 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 (5 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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 ESR1 1799/4885ESR2 2808/4885SLC6A2 2231/4885
US-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds PAH, APEH, HPD ESR1 818/4885ESR2 1554/4885SLC6A2 4302/4885
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH ESR1 3842/4885ESR2 3685/4885SLC6A2 4820/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH ESR1 3192/4885ESR2 3093/4885SLC6A2 3195/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD ESR1 1124/4885ESR2 1539/4885SLC6A2 4038/4885

“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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