SCHEMBL21998478

SCHEMBL21998478

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ALOX5 P09917 5/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SRC P12931 1/20 0.34
AKR1C3 P42330 2/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
S1PR5 Q9H228 2/20 0.32
AKR1B1 P15121 1/20 0.32
LMNA P02545 1/20 0.32
TOP2A P11388 1/20 0.31

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
SCHEMBL21993633 0.86 ALOX5 (0.44) MAOAMAOBALOX5ALDH1A1L3MBTL1
SCHEMBL21998476 0.83 MAOA (0.36) MAOAMAOBALDH1A1AKR1C3KMT2A
SCHEMBL21998475 0.83 PLA2G2A (0.36) MAOAMAOBALDH1A1AKR1B1
SCHEMBL16450742 0.80 MAOA (0.41) MAOAMAOBALOX5ALDH1A1L3MBTL1
SCHEMBL22474116 0.76 FDPS (0.38) MAOAMAOBALOX5ALDH1A1L3MBTL1
SCHEMBL21998479 0.74 SRC (0.43) ALDH1A1SRCKMT2AKDM4EGLA
SCHEMBL16450540 0.74 ALOX5 (0.38) MAOAMAOBALOX5ALDH1A1L3MBTL1
SCHEMBL16450580 0.73 MAOA (0.41) MAOAMAOBALOX5ALDH1A1L3MBTL1
SCHEMBL19640156 0.72 FNTA (0.39) ALOX5ALDH1A1L3MBTL1SRCKMT2A
SCHEMBL16450367 0.72 ALOX5 (0.39) MAOAMAOBALOX5ALDH1A1L3MBTL1

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

“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.