SCHEMBL855571

SCHEMBL855571

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
TSHR P16473 2/20 0.33
CA4 P22748 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL30523206 1.00 CA1 (0.33) CA1CA2TSHRCA4CA12
SCHEMBL13991787 0.80 TSHR (0.39) TSHRALDH1A1
SCHEMBL13991792 0.80 NOTUM (0.35) TSHRALDH1A1
SCHEMBL13991786 0.80 TSHR (0.30) TSHRALDH1A1
SCHEMBL13991791 0.80 TSHR (0.30) TSHRALDH1A1
SCHEMBL9854203 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13991790 0.74 VCAM1 (0.40) TSHRALDH1A1
SCHEMBL13991793 0.74 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL29476089 0.74 ALOX15 (0.41) CA1CA2TSHRCA7ALDH1A1
SCHEMBL581013 0.74 ALOX15 (0.41) CA1CA2TSHRCA7ALDH1A1

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
EP-0431294-A2 Preparation of 2,4,5-trifluorobenzoic acid by decarboxylation of 3,4,6-trifluorophthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1991-06-12 EP claimed
US-4935541-A Preparation of 2,4,5-trifluorobenzoic acid by decarboxylation of 3,4,6-trifluorophthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1990-06-19 US claimed
JP-3161462-A None JP disclosed
CN-116632353-B Lithium ion battery electrolyte capable of inhibiting formation and growth of lithium dendrite and lithium ion battery 江苏兴杰固邦能源科技有限公司 2023-10-13 CN disclosed
CN-116632353-A Lithium ion battery electrolyte capable of inhibiting formation and growth of lithium dendrite and lithium ion battery 江苏兴杰固邦能源科技有限公司 2023-08-22 CN disclosed
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
CN-101529293-A Flexible optical waveguide, method for producing the same, and epoxy resin composition for flexible optical waveguide NIPPON CATALYTIC CHEM IND (JP) 2009-09-09 CN 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-5200556-A Defluorination in aqueous-alkaline medium using zinc HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
EP-0514863-A2 Process for preparing 3,4,6-trifluorophthalic acid and its anhydride HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-25 EP disclosed
JP-H03161462-A PREPARATION OF 2,4,5-TRIFLUOROBENZOIC ACID BY DECARBOXYLATION OF 3,4,6-TRIFLUOROPHTHALIC ANHYDRIDE OCCIDENTAL CHEM CORP 1991-07-11 JP disclosed
EP-0431294-A2 Preparation of 2,4,5-trifluorobenzoic acid by decarboxylation of 3,4,6-trifluorophthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1991-06-12 EP disclosed
EP-0431294-A2 Preparation of 2,4,5-trifluorobenzoic acid by decarboxylation of 3,4,6-trifluorophthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1991-06-12 EP disclosed
EP-0431294-A2 Preparation of 2,4,5-trifluorobenzoic acid by decarboxylation of 3,4,6-trifluorophthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1991-06-12 EP disclosed
US-4935541-A Preparation of 2,4,5-trifluorobenzoic acid by decarboxylation of 3,4,6-trifluorophthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1990-06-19 US disclosed
US-4935541-A Preparation of 2,4,5-trifluorobenzoic acid by decarboxylation of 3,4,6-trifluorophthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1990-06-19 US disclosed
US-4935541-A Preparation of 2,4,5-trifluorobenzoic acid by decarboxylation of 3,4,6-trifluorophthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1990-06-19 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 (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 CA1 4688/4885CA2 4174/4885TSHR 2635/4885

“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.