SCHEMBL21581874

SCHEMBL21581874

Cc1cc(CC(C)(NC(=O)OC(C)(C)C)C(=O)O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL10723225 0.90 KDM4E (0.64) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL10723235 0.90 KDM4E (0.64) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL17580480 0.86 CA2 (0.50) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL7270148 0.84 KDM4E (0.48) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6718744 0.84 ALDH1A1 (0.56) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL2573120 0.82 BLM (0.50) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL2982712 0.82 BLM (0.50) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6107394 0.80 KDM4E (0.43) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6107393 0.80 KDM4E (0.43) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8939569 0.80 CTSB (0.54) KDM4EALDH1A1CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355166-A1 ANALGESICS AND METHODS OF USE THEREOF UNIV SYDNEY (AU) 2021-11-18 — — US disclosed
EP-3802560-A1 ANALGESICS AND METHODS OF USE THEREOF The University of Sydney (AU) 2021-04-14 — — EP disclosed
CN-112469729-A Analgesic and method of use 悉尼大学 2021-03-09 — — CN disclosed
WO-2019227163-A1 ANALGESICS AND METHODS OF USE THEREOF THE UNIVERSITY OF SYDNEY (AU) 2019-12-05 — — WO 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 (1 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-20210355166-A1 ANALGESICS AND METHODS OF USE THEREOF OPRL1, OPRD1, VIP KDM4E 4479/4885ALDH1A1 699/4885CYP1A2 1283/4885

“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.

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