SCHEMBL983447

SCHEMBL983447

[CH2]CCOCCCCCCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.56
HTT P42858 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.56
CES2 O00748 2/20 0.46
TSHR P16473 4/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
CES1 P23141 1/20 0.42
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL262280 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL134427 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL981208 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL133830 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL984577 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL625344 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL983251 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL982046 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL352667 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL982846 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO 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-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
EP-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-8362293-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
EP-0463485-B1 Process for the production of flexographic relief printing plates BASF AG (DE) 1997-05-02 EP disclosed
EP-0316618-B1 Multilayer flat light sensitive registration material BASF AG (DE) 1994-08-17 EP disclosed
US-5240815-A Exposing photopolymerizable component to actinic light, development BASF AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
EP-0463485-A2 Process for the production of flexographic relief printing plates BASF Aktiengesellschaft (DE) 1992-01-02 EP disclosed
US-5035981-A Having a top layer of high-strength, transparent, soluble or swellable polymer containing an antistatic agent of an ethoxylated amine or amide; exposure; development BASF AKTIENGESELLSCHAFT (DE) 1991-07-30 US disclosed
US-4946758-A RELIEF IMAGE FORMING LAYER; HIGH TENSILE STRENGTH POLYMER AND COVERING BASF AKTIENGESELLSCHAFT (DE) 1990-08-07 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 (2 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH THRB 4857/4885HTT 2433/4885MEN1 2713/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH THRB 4860/4885HTT 1064/4885MEN1 1653/4885

“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.