SCHEMBL3978735

SCHEMBL3978735

C=C(C)C(=O)OCCOOOOOOOOOOOC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL9561440 1.00 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3978713 0.98 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3975550 0.92 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9561543 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10423254 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL728532 0.84 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26756429 0.82 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.79 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.79 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8985941 0.79 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913855-B2 Silicon-containing heterocyclic compound, and quencher FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2021-02-09 US disclosed
US-10450462-B2 Colored composition FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-10377713-B2 Quencher FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-08-13 US disclosed
US-20190233651-A1 SILICON-CONTAINING HETEROCYCLIC COMPOUND, AND QUENCHER FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-08-01 US disclosed
EP-3476901-A1 SILICON-CONTAINING HETEROCYCLIC COMPOUND, AND QUENCHER FUJIFILM Wako Pure Chemical Corporation (JP) 2019-05-01 EP disclosed
US-10253118-B2 Cyanine coloring composition FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-04-09 US disclosed
US-10119030-B2 Rhodamine-based coloring composition FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-11-06 US disclosed
EP-3115420-B1 CYANINE COLORING COMPOSITION WAKO PURE CHEM IND LTD (JP) 2018-04-25 EP disclosed
EP-3150643-B1 TRIPHENYLMETHANE-BASED COLORED COMPOSITION WAKO PURE CHEM IND LTD (JP) 2017-12-27 EP disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 US disclosed
EP-1574528-B1 NOVEL PHOTOSENSITIVE RESIN BASED ON SAPONIFIED POLYVINYL ACETATE, PHOTOSENSITIVE RESIN COMPOSITION, METHOD OF FORMING AQUEOUS GEL FROM THE SAME, AND COMPOUND TOYO GOSEI CO LTD (JP) 2009-05-06 EP disclosed
EP-1964896-A2 Ink-jet ink and ink-jet recording method Konica Minolta Holdings, Inc. (JP) 2008-09-03 EP disclosed
US-20080206487-A1 Ink-jet ink and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2008-08-28 US disclosed
EP-1564232-B1 PHOTOSENSITIVE RESIN COMPOSITION AND PROCESS FOR THE FORMATION OF HYDROGEL TOYO GOSEI CO LTD (JP) 2008-08-20 EP disclosed
US-7408002-B2 Photosensitive resin composition and process for the formation of hydrogel TOYO GOSEI CO., LTD (JP) 2008-08-05 US disclosed
US-7348128-B2 Photosensitive resin based on saponified polyvinyl acetate photosensitive resin composition, method of forming aqueous gel from the same, and compound TOYO GOSEI CO., LTD. (JP) 2008-03-25 US disclosed
US-20060148925-A1 Novel photosensitive resin based on saponified polyvinyl acetate photosensitive resin composition, method of forming aqueous gel from the same, and compound TOYO GOSEI CO., LTD. (JP) 2006-07-06 US disclosed
US-20060041052-A1 Photosensitive resin compostion and process for the formation of hydrogel TOYO GOSEI CO., LTD (JP) 2006-02-23 US disclosed
EP-1574528-A1 NOVEL PHOTOSENSITIVE RESIN BASED ON SAPONIFIED POLYVINYL ACETATE, PHOTOSENSITIVE RESIN COMPOSITION, METHOD OF FORMING AQUEOUS GEL FROM THE SAME, AND COMPOUND Toyo Gosei Co., Ltd. (JP) 2005-09-14 EP disclosed
EP-1564232-A1 PHOTOSENSITIVE RESIN COMPOSITION AND PROCESS FOR THE FORMATION OF HYDROGEL Toyo Gosei Co., Ltd. (JP) 2005-08-17 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 (7 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-10119030-B2 Rhodamine-based coloring composition SCO2, CYC1, CYCS THRB 2005/4885TSHR 2914/4885ALDH1A1 700/4885
US-10450462-B2 Colored composition IK, HEATR6, CYBA THRB 3781/4885TSHR 4153/4885ALDH1A1 816/4885
US-10377713-B2 Quencher AHR, GFER, AKR1A1 THRB 2432/4885TSHR 1813/4885ALDH1A1 365/4885
US-10253118-B2 Cyanine coloring composition ABCC1, IK, KATNAL2 THRB 4842/4885TSHR 4834/4885ALDH1A1 778/4885
US-10913855-B2 Silicon-containing heterocyclic compound, and quencher ANXA11, ANXA1, ORAI2 THRB 3773/4885TSHR 3690/4885ALDH1A1 2230/4885
US-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 THRB 2432/4885TSHR 1813/4885ALDH1A1 365/4885
US-20190233651-A1 SILICON-CONTAINING HETEROCYCLIC COMPOUND, AND QUENCHER ANXA11, ANXA1, ORAI2 THRB 3770/4885TSHR 3689/4885ALDH1A1 2244/4885

“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.