SCHEMBL6784478

SCHEMBL6784478

CCC(=O)c1cc(C(F)(F)F)ccc1OC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ PDE4B Q07343 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ CNR2 P34972 10/20 0.40

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
SCHEMBL30307535 1.00 TSHR (0.44) TSHRPDE4BPTGDR2CNR2
SCHEMBL8707829 0.81 PDE4B (0.43) PDE4B
SCHEMBL5274226 0.77 TSHR (0.41) TSHRPDE4BPTGDR2CNR2
SCHEMBL6783812 0.76 TSHR (0.39) TSHRPDE4BPTGDR2CNR2
SCHEMBL7175438 0.75 PTGDR2 (0.39) TSHRPDE4BPTGDR2
SCHEMBL22946143 0.75 TSHR (0.41) TSHRPDE4BPTGDR2CNR2
SCHEMBL5330768 0.75 MRGPRX4 (0.43) TSHRPTGDR2
SCHEMBL6788039 0.75 TSHR (0.38) TSHRPDE4BPTGDR2CNR2
SCHEMBL1714808 0.75 TSHR (0.39) TSHRPDE4BPTGDR2CNR2
SCHEMBL26662458 0.75 PPARA (0.51) PTGDR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-09-14 — — US disclosed
US-11649227-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2023-05-16 — — US disclosed
CN-115956075-A Allosteric enone inhibitors of phosphoinositide 3-kinases (PI 3 ks) for the treatment of diseases associated with PI3K modulation 佩特拉制药公司 2023-04-11 — — CN disclosed
US-20220372023-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2022-11-24 — — US disclosed
US-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 — — US disclosed
EP-1309531-A1 DERIVATIVES OF 4-(TRIFLUOROMETHYL)-PHENOL AND 4-(TRIFLUOROMETHYLPHENYL)-2-(TETRAHYDROPYRANYL) ETHER AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2003-05-14 — — EP disclosed
WO-2002014250-A1 DERIVATIVES OF 4-(TRIFLUOROMETHYL)-PHENOL AND 4-(TRIFLUOROMETHYLPHENYL)-2-(TETRAHYDROPYRANYL) ETHER AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 — — 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 (4 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-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 TSHR 505/4885PDE4B 957/4885PTGDR2 2954/4885
US-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same EPX, CYP4X1, EPHX2 TSHR 2704/4885PDE4B 1837/4885PTGDR2 1603/4885
US-20220372023-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 TSHR 505/4885PDE4B 957/4885PTGDR2 2954/4885
US-11649227-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, AKT3, PIK3R1 TSHR 505/4885PDE4B 957/4885PTGDR2 2954/4885

“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.

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