SCHEMBL465653

SCHEMBL465653

COC([C]=O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TSHR P16473 2/20 0.38
CES1 P23141 1/20 0.38
KCNN4 O15554 1/20 0.37
PTPN1 P18031 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MAPK1 P28482 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
ALOX15 P16050 1/20 0.32
RORC P51449 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL5414397 1.00 ALDH1A1 (0.38) ALDH1A1TSHRCES1KCNN4PTPN1
SCHEMBL5161276 1.00 ALDH1A1 (0.38) ALDH1A1TSHRCES1KCNN4PTPN1
SCHEMBL13785277 0.81 ALDH1A1 (0.38) ALDH1A1TSHRCES1KCNN4PTPN1
SCHEMBL13785278 0.81 ALDH1A1 (0.38) ALDH1A1TSHRCES1KCNN4PTPN1
SCHEMBL7356506 0.80 ALDH1A1 (0.39) ALDH1A1TSHRKCNN4PTPN1NR1H2
SCHEMBL1401085 0.79 ALDH1A1 (0.35) ALDH1A1TSHRKCNN4PTPN1NR1H2
SCHEMBL4080546 0.76 KCNN4 (0.44) ALDH1A1TSHRCES1KCNN4PTPN1
SCHEMBL17091567 0.75 KCNN4 (0.34) ALDH1A1TSHRCES1KCNN4PTPN1
SCHEMBL7873896 0.71 ALDH1A1 (0.46) ALDH1A1TSHRCES1KCNN4MAPK1
SCHEMBL1229735 0.71 CES1 (0.42) ALDH1A1TSHRCES1KCNN4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
US-9403863-B2 Substituted carbonyloxymethylphosphoramidate compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS LLC (US) 2016-08-02 US claimed
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US claimed
EP-1899358-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS Phosphoenix SARL (FR) 2008-03-19 EP claimed
WO-2006136695-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS PHOSPHOENIX SARL (FR) 2006-12-28 WO claimed
EP-0906295-B1 DIBENZO-OXAZEPINE AND -DIOXEPINE DERIVATIVES AND THEIR USE AS ANTI-TUMOR AGENTS HOFFMANN LA ROCHE (CH) 2001-10-24 EP claimed
EP-0906295-A1 DIBENZO-OXAZEPINE AND -DIOXEPINE DERIVATIVES AND THEIR USE AS ANTI-TUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP claimed
US-5811420-A SUBSTITUTED 6,7-DIHYDRO-5A-DIBENZO(B,E)(1,4)DIOXAPINE DERIVATIVES; ANTICARCINOGENIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US claimed
WO-1997047611-A1 DIBENZO-OXAZEPINE AND -DIOXEPINE DERIVATIVES AND THEIR USE AS ANTI-TUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1997-12-18 WO claimed
US-5449684-A Antitumor agents and viricides PHARMAMAR, S.A. (ES) 1995-09-12 US claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
EP-0098942-B1 OPTICALLY ACTIVE IMIDAZOLYLPROPANOL COMPOUNDS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-03-12 EP claimed
JP-11246532-A None JP disclosed
WO-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-11970432-B2 Process for preparing 2-methyl-N-(2′-methylbutyl)butanamide SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-04-30 US disclosed
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME HOLOSMEDIC (KR) 2024-03-28 US disclosed
WO-1985005622-A1 1,24-DIHYDROXY-DELTA22-VITAMIN D3 AND PROCESS FOR PREPARING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-12-19 WO disclosed
EP-0119251-A1 HYDROXYVITAMIN D 2? COMPOUNDS AND PROCESS FOR PREPARING THEM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1984-09-26 EP disclosed
US-4448721-A Hydroxyvitamin D2 compounds and process for preparing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1984-05-15 US disclosed
WO-1984001155-A1 HYDROXYVITAMIN D2 COMPOUNDS AND PROCESS FOR PREPARING THEM WISCONSIN ALUMNI RES FOUND (US) 1984-03-29 WO 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 (3 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-11970432-B2 Process for preparing 2-methyl-N-(2′-methylbutyl)butanamide ALKBH5, ALKBH2, ADRB2 ALDH1A1 560/4885TSHR 2615/4885CES1 1774/4885
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME SLC11A2, ABCC1, TSG101 ALDH1A1 3381/4885TSHR 4766/4885CES1 1602/4885
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 ALDH1A1 834/4885TSHR 3165/4885CES1 384/4885

“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.