SCHEMBL855131

SCHEMBL855131

O=C1OC(=O)c2c(F)c(Cl)c(Cl)c(F)c21

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL854899 0.93 TSHR (0.71) TSHRALDH1A1
SCHEMBL855118 0.83 TSHR (0.65) TSHRALDH1A1
SCHEMBL854488 0.82 TSHR (0.56) TSHRALDH1A1
SCHEMBL29362800 0.79 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL335922 0.79 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL9807348 0.77 TSHR (0.41) TSHRALDH1A1
SCHEMBL3956387 0.74 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL854561 0.74 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL21861 0.73 TSHR (1.00) TSHRALDH1A1
SCHEMBL30354042 0.73 TSHR (1.00) TSHRALDH1A1

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
EP-2433933-B1 PRODUCTION METHOD OF TRI- OR TETRAHALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL CO (JP) 2019-05-08 EP disclosed
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
US-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
WO-2008103320-A1 METHODS OF TREATING OPHTHALMIC DISORDERS WITH ANTHRAQUINONES NOVACEA, INC. (US) 2008-08-28 WO disclosed
EP-0242169-B1 DIVINYL COMPOUNDS AND CHROMOGENIC RECORDING MATERIAL PREPARED BY USE THEREOF YAMADA CHEMICAL CO., LTD. (JP) 1992-01-02 EP disclosed
EP-0242170-B1 DIVINYL COMPOUNDS AND CHROMOGENIC RECORDING-MATERIAL PREPARED BY USE THEREOF YAMADA CHEMICAL CO., LTD. (JP) 1991-09-18 EP disclosed
US-4835291-A Divinyl compounds and chromogenic recording-material prepared by using thereof YAMADA CHEMICAL CO., LTD. (JP) 1989-05-30 US disclosed
US-4808567-A PHOTOSTABILITY, WATERPROOFING YAMADA CHEMICAL CO., LTD. (JP) 1989-02-28 US disclosed
EP-0242169-A2 Divinyl compounds and chromogenic recording material prepared by use thereof YAMADA CHEMICAL CO., LTD. (JP) 1987-10-21 EP disclosed
EP-0242170-A2 Divinyl compounds and chromogenic recording-material prepared by use thereof YAMADA CHEMICAL CO., LTD. (JP) 1987-10-21 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 (1 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-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof RB1, BRCA1, CCNA1 TSHR 2635/4885ALDH1A1 103/4885

“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.