SCHEMBL983518

SCHEMBL983518

[CH2]CCCOCCCCCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

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 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA9 Q16790 7/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43

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
SCHEMBL982348 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL984102 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL983068 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL983489 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL352239 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL982553 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL16056490 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL983735 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL983511 1.00 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL983493 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 16 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-1914237-A2 Phosphonate ester antiviral compounds The Regents of The University of California at San Diego (US) 2008-04-23 EP disclosed
EP-0059383-B1 IMPROVER FOR THE COLOR FASTNESS OF DYED COTTON TEXTILES TO CHLORINATED WATER AND PROCESS FOR IMPROVING THE COLOR FASTNESS OF DYED COTTON TEXTILES TO CHLORINATED WATER Dainippon Pharmaceutical Co., Ltd. (JP) 1986-06-18 EP disclosed
US-4424061-A Color fastness of dyed cotton textiles to chlorinated water and process for improving the color fastness of dyed cotton textiles to chlorinated water DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1984-01-03 US disclosed
EP-0059383-A1 Improver for the color fastness of dyed cotton textiles to chlorinated water and process for improving the color fastness of dyed cotton textiles to chlorinated water Dainippon Pharmaceutical Co., Ltd. (JP) 1982-09-08 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 (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.