SCHEMBL9903281

SCHEMBL9903281

CCCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
PDE2A O00408 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
EPHX1 P07099 1/20 0.38
SLC6A4 P31645 1/20 0.37
CES2 O00748 1/20 0.36
TACR1 P25103 4/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
GRIN2B Q13224 1/20 0.35
S1PR1 P21453 1/20 0.35
DPP4 P27487 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
SCHEMBL2394599 0.84 PDE2A (0.51) PNMTPDE2ACES2TACR1AKR1C3
SCHEMBL5610427 0.84 PDE2A (0.51) PNMTPDE2ACES2TACR1AKR1C3
SCHEMBL8155042 0.82 GABRA1 (0.41)
SCHEMBL12064796 0.82 PNMT (0.66) PNMTTAS1R3TAS1R1EPHX1CES2
SCHEMBL13850046 0.82 PNMT (0.66) PNMTTAS1R3TAS1R1EPHX1CES2
SCHEMBL14402720 0.82 PNMT (0.66) PNMTTAS1R3TAS1R1EPHX1CES2
SCHEMBL27744161 0.81 PNMT (0.50) PNMTPDE2ASLC6A4CES2TACR1
SCHEMBL2763340 0.81 HSD11B1 (0.47) PNMTPDE2ATAS1R3TAS1R1SLC6A4
SCHEMBL906186 0.81 HSD11B1 (0.47) PNMTPDE2ATAS1R3TAS1R1SLC6A4
SCHEMBL25920947 0.79 PNMT (0.47) PNMTPDE2ACES2TACR1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382775-A1 METHOD FOR EXTRACTING SALTS AND TEMPERATURE-REGENERATED EXTRACTING COMPOSITION ADIONICS (FR) 2023-11-30 US disclosed
US-20230382775-A1 METHOD FOR EXTRACTING SALTS AND TEMPERATURE-REGENERATED EXTRACTING COMPOSITION ADIONICS (FR) 2023-11-30 US disclosed
US-11772997-B2 Method for extracting salts and temperature-regenerated extracting composition ADIONICS (FR) 2023-10-03 US disclosed
US-11772997-B2 Method for extracting salts and temperature-regenerated extracting composition ADIONICS (FR) 2023-10-03 US disclosed
US-11731933-B2 Device and method for the desalination of water by means of thermal deionisation and liquid-phase ion extraction liquid ADIONICS (FR) 2023-08-22 US disclosed
US-11731933-B2 Device and method for the desalination of water by means of thermal deionisation and liquid-phase ion extraction liquid ADIONICS (FR) 2023-08-22 US disclosed
US-20210355076-A1 DEVICE AND METHOD FOR THE DESALINATION OF WATER BY MEANS OF THERMAL DEIONISATION AND LIQUID-PHASE ION EXTRACTION LIQUID ADIONICS (FR) 2021-11-18 US disclosed
US-11066356-B2 Device and method for the desalination of water by means of thermal deionisation and liquid-phase ion extraction liquid ADIONICS (FR) 2021-07-20 US disclosed
US-20210214254-A1 METHOD FOR EXTRACTING SALTS AND TEMPERATURE-REGENERATED EXTRACTING COMPOSITION ADIONICS (FR) 2021-07-15 US disclosed
EP-3808425-A1 DEVICE AND METHOD FOR THE DESALINATION OF WATER BY MEANS OF THERMAL DEIONISATION AND LIQUID-PHASE ION EXTRACTION LIQUID ADIONICS (FR) 2021-04-21 EP disclosed
US-20180009738-A1 DEVICE AND METHOD FOR THE DESALINATION OF WATER BY MEANS OF THERMAL DEIONISATION AND LIQUID-PHASE ION EXTRACTION LIQUID ADIONICS (FR) 2018-01-11 US disclosed
EP-1973546-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP 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-11731933-B2 Device and method for the desalination of water by means of thermal deionisation and liquid-phase ion extraction liquid AQP3, AQP1, AQP4 PNMT 1650/4885PDE2A 4116/4885TAS1R3 582/4885
US-20210355076-A1 DEVICE AND METHOD FOR THE DESALINATION OF WATER BY MEANS OF THERMAL DEIONISATION AND LIQUID-PHASE ION EXTRACTION LIQUID AQP3, AQP1, AQP4 PNMT 1650/4885PDE2A 4116/4885TAS1R3 582/4885
US-20180009738-A1 DEVICE AND METHOD FOR THE DESALINATION OF WATER BY MEANS OF THERMAL DEIONISATION AND LIQUID-PHASE ION EXTRACTION LIQUID AQP3, AQP1, AQP4 PNMT 1650/4885PDE2A 4116/4885TAS1R3 582/4885
US-11066356-B2 Device and method for the desalination of water by means of thermal deionisation and liquid-phase ion extraction liquid AQP3, AQP1, AQP4 PNMT 1650/4885PDE2A 4116/4885TAS1R3 582/4885

“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.