SCHEMBL26628119

SCHEMBL26628119

CC(C)(C)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.57
POLB P06746 5/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
ATM Q13315 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL23060406 0.89 POLB (0.58) POLBLMNAMAPK1SMN1; SMN2GAA
SCHEMBL16500999 0.85 CETP (0.61) CETPPOLBLMNAGAAMEN1
SCHEMBL5801586 0.85 POLB (0.57) POLBLMNAMAPK1SMN1; SMN2GAA
SCHEMBL30977681 0.85 TAS2R14 (0.55) CETPPOLBLMNASMN1; SMN2GAA
SCHEMBL9457765 0.85 TAS2R14 (0.55) CETPPOLBLMNASMN1; SMN2GAA
SCHEMBL5706504 0.82 CETP (0.71) CETPPOLBLMNASMN1; SMN2CYP1A2
SCHEMBL4453238 0.82 PLK1 (0.52) CETPPOLBLMNAGAACYP1A2
SCHEMBL9874730 0.82 CETP (0.46) CETPPOLBLMNAMAPK1SMN1; SMN2
SCHEMBL23060425 0.82 POLB (0.54) POLBLMNAMAPK1SMN1; SMN2GAA
SCHEMBL1395802 0.81 POLB (0.58) POLBLMNAMAPK1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
CN-110330400-A The method for hydrogenating synthesizing cis trifluoromethyl cyclohexane derivant and heterocyclic compound 四川大学 2019-10-15 CN 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-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 CETP 545/4885POLB 4838/4885LMNA 326/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR CETP 3506/4885POLB 4131/4885LMNA 3407/4885

“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.