SCHEMBL307896

SCHEMBL307896

Cc1ccc(C(O)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ACHE P22303 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
NR1I2 O75469 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALOX5 P09917 1/20 0.34
MLYCD O95822 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
OGA O60502 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL1932757 1.00 CHRNA7 (0.39) CHRNA7ESR1ESR2ACHETDP1
SCHEMBL1932415 1.00 CHRNA7 (0.39) CHRNA7ESR1ESR2ACHETDP1
SCHEMBL14593355 0.87 ESR1 (0.48) ESR1ESR2NR1I2CES2CES1
SCHEMBL5755708 0.82 CA2 (0.38) CHRNA7ESR1ESR2ACHETDP1
SCHEMBL24408950 0.81 PTPN5 (0.43) ESR1ESR2NR1I2OGAKDM5B
SCHEMBL24408977 0.81 PTPN5 (0.43) ESR1ESR2NR1I2OGAKDM5B
SCHEMBL14701578 0.81 PTPN5 (0.43) ESR1ESR2NR1I2OGAKDM5B
SCHEMBL2175953 0.78 ESR1 (0.65) ESR1ESR2TDP1CA2CA1
SCHEMBL1272903 0.78 NR1I2 (0.41) ESR1ESR2NR1I2CES2CES1
SCHEMBL1273068 0.78 NR1I2 (0.41) ESR1ESR2NR1I2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415643-A Method for controlling alumina precipitation ALCOA AUSTRALIA (AU) 2009-04-22 CN claimed
WO-2007112497-A1 METHOD FOR CONTROLLING THE PRECIPITATION OF ALUMINA ALCOA OF AUSTRALIA LIMITED (AU) 2007-10-11 WO claimed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
WO-2025062119-A2 NEW COMPOUNDS AND USES THEREOF IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-03-27 WO disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20230159762-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION REVVITY HEALTH SCIENCES, INC. 2023-05-25 US disclosed
US-20230159762-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION REVVITY HEALTH SCIENCES, INC. 2023-05-25 US disclosed
US-20230159762-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION REVVITY HEALTH SCIENCES, INC. 2023-05-25 US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
WO-2007112497-A1 METHOD FOR CONTROLLING THE PRECIPITATION OF ALUMINA ALCOA OF AUSTRALIA LIMITED (AU) 2007-10-11 WO disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 WO disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
EP-0623103-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1997-09-03 EP disclosed
US-5608062-A Process for preparing trifluoromethyl ketones HOECHST SCHERING AGREVO GMBH (DE) 1997-03-04 US disclosed
EP-0623103-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES. HOECHST SCHERING AGREVO GMBH (DE) 1994-11-09 EP disclosed
WO-1993014054-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1993-07-22 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 (7 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-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R CHRNA7 3154/4885ESR1 143/4885ESR2 130/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R CHRNA7 3154/4885ESR1 143/4885ESR2 130/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 CHRNA7 854/4885ESR1 3608/4885ESR2 1477/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CHRNA7 75/4885ESR1 4505/4885ESR2 2393/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 CHRNA7 1722/4885ESR1 1603/4885ESR2 465/4885
US-20230159762-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION SMARCD1, SMARCE1, SMARCB1 CHRNA7 4185/4885ESR1 3796/4885ESR2 4430/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R CHRNA7 3154/4885ESR1 143/4885ESR2 130/4885

“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.