SCHEMBL761287

SCHEMBL761287

OC(c1ccccc1)(C1CO1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HRH1 P35367 1/20 0.38
SCN1A P35498 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
PTPN1 P18031 1/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5731346 0.80 TSHR (0.41) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL4889913 0.77 LMNA (0.48) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL27263148 0.75 CYP2D6 (0.42) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL8068587 0.74 CYP2D6 (0.39) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL14003863 0.74 MAPK1 (0.42) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL10679246 0.72 TSHR (0.42) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL14688891 0.70 PTPN1 (0.37) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL30825836 0.70 TSHR (0.42) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL30825821 0.70 TSHR (0.42) TSHRALDH1A1CYP2D6LMNAMEN1
SCHEMBL10675379 0.68 L3MBTL1 (0.53) TSHRCYP2D6LMNAMEN1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023182941-A2 A POLYMERIZABLE COMPOSITION, A THREE-DIMENSIONAL PRINTED ARTICLE AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-09-28 WO claimed
CN-113501692-A Light heat-insulating concrete 抚州市正兴混凝土有限公司 2021-10-15 CN claimed
US-7038062-B2 Synthesis of cyclic trithiocarbonates from epoxides THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-05-02 US claimed
US-20060004210-A1 SYNTHESIS OF CYCLIC TRITHIOCARBONATES FROM EPOXIDES GOODYEAR TIRE & RUBBER COMPANY, THE 2006-01-05 US claimed
WO-2023182941-A2 A POLYMERIZABLE COMPOSITION, A THREE-DIMENSIONAL PRINTED ARTICLE AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-09-28 WO disclosed
US-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 US disclosed
CN-110049977-B Lactam, cyclic urea and carbamate and triazolone derivatives as potent and selective ROCK inhibitors 百时美施贵宝公司 2022-01-18 CN disclosed
CN-113501692-A Light heat-insulating concrete 抚州市正兴混凝土有限公司 2021-10-15 CN disclosed
US-20210174983-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC 2021-06-10 US disclosed
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
EP-3481816-B1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-24 EP disclosed
WO-2020031836-A1 POLYMERIZABLE IONIC LIQUID, POLYMER, CURABLE COMPOSITION, ELECTROCHEMICAL ELEMENT MATERIAL, AND ANTISTATIC MATERIAL セントラル硝子株式会社 2020-02-13 WO disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-7038062-B2 Synthesis of cyclic trithiocarbonates from epoxides THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-05-02 US disclosed
US-20060004210-A1 SYNTHESIS OF CYCLIC TRITHIOCARBONATES FROM EPOXIDES GOODYEAR TIRE & RUBBER COMPANY, THE 2006-01-05 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 (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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885ALDH1A1 2353/4885CYP2D6 993/4885
US-20060004210-A1 SYNTHESIS OF CYCLIC TRITHIOCARBONATES FROM EPOXIDES TST, CXCR6, CCR6 TSHR 925/4885ALDH1A1 3142/4885CYP2D6 433/4885
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors MYLK, ROCK1, MYLK2 TSHR 2273/4885ALDH1A1 3629/4885CYP2D6 4069/4885

“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.