SCHEMBL21998475

SCHEMBL21998475

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
RARB P10826 1/20 0.34
AKR1B1 P15121 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
WDR5 P61964 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
SCHEMBL21998476 0.84 MAOA (0.36) ALOX15ALDH1A1THRATHRBAKR1B1
SCHEMBL21998478 0.83 MAOA (0.35) ALDH1A1AKR1B1MAOAMAOB
SCHEMBL9204687 0.80 THRA (0.42) PLA2G2AALDH1A1THRATHRBMAOA
SCHEMBL19578871 0.77 PLA2G2A (0.48) PLA2G2AALDH1A1HPGDRARB
SCHEMBL18946302 0.76 PLA2G2A (0.39) PLA2G2APOLBALOX15HTTALDH1A1
SCHEMBL16645345 0.75 PLA2G2A (0.50) PLA2G2AALDH1A1HPGDTHRATHRB
SCHEMBL16447428 0.75 PLA2G2A (0.40) PLA2G2APOLBALOX15HTTALDH1A1
SCHEMBL3607900 0.73 ALOX15 (0.45) PLA2G2APOLBALOX15HTTALDH1A1
SCHEMBL4141214 0.72 PLA2G2A (0.59) PLA2G2AALDH1A1HPGDTHRATHRB
SCHEMBL21994124 0.71 ALOX5 (0.38) POLBHTTMAOAMAOB

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 PLA2G2A 1584/4885POLB 3014/4885ALOX15 678/4885
US-11654198-B2 Application of combination of polyethylene glycol and local anesthetic in non-narcotic analgesia OPRL1, OPRK1, OPRM1 PLA2G2A 1584/4885POLB 3014/4885ALOX15 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.