SCHEMBL21998476

SCHEMBL21998476

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ALOX15 P16050 2/20 0.36
AKR1B1 P15121 3/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL25660991 0.92 MAOB (0.37) MAOAMAOBALOX15AKR1B1LDHA
SCHEMBL21994125 0.87 ALOX5 (0.37) MAOAMAOBKDM4EGAA
SCHEMBL21998475 0.84 PLA2G2A (0.36) MAOAMAOBALOX15AKR1B1ALDH1A1
SCHEMBL21998478 0.83 MAOA (0.35) MAOAMAOBAKR1B1KDM4EALDH1A1
SCHEMBL21994124 0.79 ALOX5 (0.38) MAOAMAOBKDM4EGAA
SCHEMBL21554146 0.76 CYP4F2 (0.38) MAOAMAOBALOX15KDM4EGAA
SCHEMBL26397841 0.74 ALOX15 (0.36) ALOX15AKR1B1LDHALDHBKDM4E
SCHEMBL21976827 0.71 ALOX15 (0.39) ALOX15AKR1B1LDHALDHBKDM4E
SCHEMBL21993633 0.68 ALOX5 (0.44) MAOAMAOBALDH1A1KMT2A
SCHEMBL15413030 0.67 SMN1; SMN2 (0.35)

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 1484/4885ALOX15 678/4885
US-11654198-B2 Application of combination of polyethylene glycol and local anesthetic in non-narcotic analgesia OPRL1, OPRK1, OPRM1 MAOA 776/4885MAOB 1484/4885ALOX15 678/4885

“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.