SCHEMBL21994124

SCHEMBL21994124

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.38
MAOB P27338 5/20 0.36
MAOA P21397 4/20 0.36
HTT P42858 2/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL21554146 0.90 CYP4F2 (0.38) ALOX5MAOBMAOAHTTPOLB
SCHEMBL21994125 0.89 ALOX5 (0.37) ALOX5MAOBMAOAHTTPOLB
SCHEMBL25660991 0.87 MAOB (0.37) MAOBMAOAKDM4EGAA
SCHEMBL21993633 0.81 ALOX5 (0.44) ALOX5MAOBMAOAHTTPOLB
SCHEMBL21998476 0.79 MAOA (0.36) MAOBMAOAKDM4EGAA
SCHEMBL19640138 0.75 CYP4F2 (0.40) HTTPOLBKDM4ETP53GAA
SCHEMBL19640145 0.74 HTT (0.37) HTTPOLBKDM4ETP53GAA
SCHEMBL27834366 0.72 HTT (0.42) ALOX5HTTPOLBKDM4ETP53
SCHEMBL21998475 0.71 PLA2G2A (0.36) MAOBMAOAHTTPOLB
SCHEMBL26397846 0.71 PPARA (0.38) HTTPOLBKDM4ETP53GAA

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 2 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-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 222/4885MAOB 1484/4885MAOA 776/4885
US-11654198-B2 Application of combination of polyethylene glycol and local anesthetic in non-narcotic analgesia OPRL1, OPRK1, OPRM1 ALOX5 222/4885MAOB 1484/4885MAOA 776/4885

“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.