SCHEMBL670666

SCHEMBL670666

Nc1cc(F)c(F)c(C(=O)O)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA4 P22748 2/20 0.45
KEAP1 Q14145 1/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
CA9 Q16790 3/20 0.33
GFER P55789 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL503507 0.84 CA1 (0.61) CA1CA2CA4KEAP1CES2
SCHEMBL19130846 0.83 KEAP1 (0.39) CA1CA2CA4KEAP1CES2
SCHEMBL13469362 0.83 CA1 (0.40) CA1CA2CA4KEAP1CES2
SCHEMBL28522302 0.81 CA1 (0.58) CA1CA2CA4KEAP1CES2
SCHEMBL29154297 0.81 CA1 (0.58) CA1CA2CA4KEAP1CES2
SCHEMBL31490367 0.81 GAA (0.39) KEAP1KMT2AKDM4EGFERRXFP1
SCHEMBL13469364 0.78 CA1 (0.50) CA1CA2CA4KEAP1CES2
SCHEMBL22832001 0.76 TSHR (0.41) CA1CA2CA4KDM4ECA9
SCHEMBL29562023 0.76 TSHR (0.41) CA1CA2CA4KDM4ECA9
SCHEMBL5341471 0.76 CA1 (0.46) CA1CA2CA4KEAP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113604194-A Modified epoxy resin binder for stone and preparation method thereof 湖南柯盛新材料有限公司 2021-11-05 CN claimed
CN-113583606-A Stone binder of polyphenyl ether modified epoxy resin and preparation method thereof 湖南柯盛新材料有限公司 2021-11-02 CN claimed
CN-113528068-A Double-component stone crack sealer and preparation method thereof 湖南柯盛新材料有限公司 2021-10-22 CN claimed
CN-113462338-A Stone binder and preparation method thereof 湖南柯盛新材料有限公司 2021-10-01 CN claimed
CN-113403015-A Double-component stone binder and preparation method thereof 湖南柯盛新材料有限公司 2021-09-17 CN claimed
EP-1973883-B1 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP claimed
US-20110021481-A1 Novel Compounds and Methods for Their Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US claimed
US-20090253667-A1 18 ,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BIOTICA TECHNOLOGY LIMITED (GB) 2009-10-08 US claimed
EP-1973883-A2 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION Biotica Technology Limited (GB) 2008-10-01 EP claimed
EP-1928837-A2 18,21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER Biotica Technology Limited (GB) 2008-06-11 EP claimed
WO-2008056188-A2 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 WO claimed
WO-2007128829-A2 18,21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER BIOTICA TECHNOLOGY LIMITED (GB) 2007-11-15 WO claimed
JP-3093758-A None JP disclosed
CN-113604194-A Modified epoxy resin binder for stone and preparation method thereof 湖南柯盛新材料有限公司 2021-11-05 CN disclosed
CN-113583606-A Stone binder of polyphenyl ether modified epoxy resin and preparation method thereof 湖南柯盛新材料有限公司 2021-11-02 CN disclosed
CN-113528068-A Double-component stone crack sealer and preparation method thereof 湖南柯盛新材料有限公司 2021-10-22 CN disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
JP-H0393758-A FLUOROBENZENE DERIVATIVE AND ITS PRODUCTION IMPERIAL CHEM IND PLC <ICI> 1991-04-18 JP disclosed
EP-0415585-A1 Fluorobenzene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 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-20090253667-A1 18 ,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BCL3, BECN1, CD22 CA1 2746/4885CA2 3474/4885CA4 1603/4885
US-20110021481-A1 Novel Compounds and Methods for Their Production BCL6, BCL3, AQP4 CA1 3205/4885CA2 3632/4885CA4 1361/4885

“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.