SCHEMBL21993633

SCHEMBL21993633

C#CCCCOc1cc(C=O)cc(C)c1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.44
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
SRC P12931 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.33
FDPS P14324 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21998478 0.86 MAOA (0.35) ALOX5SRCMAOAMAOBALDH1A1
SCHEMBL19640156 0.86 FNTA (0.39) ALOX5FNTAFNTBSRCHTT
SCHEMBL16450742 0.83 MAOA (0.41) ALOX5SRCMAOAMAOBHTT
SCHEMBL21554146 0.81 CYP4F2 (0.38) ALOX5MAOAMAOBHTTPOLB
SCHEMBL21994124 0.81 ALOX5 (0.38) ALOX5MAOAMAOBHTTPOLB
SCHEMBL21994125 0.81 ALOX5 (0.37) ALOX5MAOAMAOBHTTPOLB
SCHEMBL294264 0.78 FNTA (0.50) FNTAFNTBSRCHTTALDH1A1
SCHEMBL16450540 0.77 ALOX5 (0.38) ALOX5MAOAMAOBHTTALDH1A1
SCHEMBL16450580 0.77 MAOA (0.41) ALOX5SRCMAOAMAOBHTT
SCHEMBL24110815 0.76 TUBB4A (0.52) FNTAFNTBSRCHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11654198-B2 Application of combination of polyethylene glycol and local anesthetic in non-narcotic analgesia JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2023-05-23 US disclosed
US-11654198-B2 Application of combination of polyethylene glycol and local anesthetic in non-narcotic analgesia JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2023-05-23 US disclosed
US-20200147228-A1 APPLICATION OF COMBINATION OF POLYETHYLENE GLYCOL AND LOCAL ANESTHETIC IN NON-NARCOTIC ANALGESIA JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2020-05-14 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 (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-20200147228-A1 APPLICATION OF COMBINATION OF POLYETHYLENE GLYCOL AND LOCAL ANESTHETIC IN NON-NARCOTIC ANALGESIA OPRL1, OPRK1, OPRM1 ALOX5 222/4885FNTA 2595/4885FNTB 4493/4885
US-11654198-B2 Application of combination of polyethylene glycol and local anesthetic in non-narcotic analgesia OPRL1, OPRK1, OPRM1 ALOX5 222/4885FNTA 2595/4885FNTB 4493/4885

“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.