SCHEMBL22335282

SCHEMBL22335282

C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)C5CC[C@]43C)[C@H]12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.75
RECQL P46063 2/20 0.75
PTPN2 P17706 2/20 0.75
PTPN1 P18031 2/20 0.75
ACP1 P24666 2/20 0.75
CETP P11597 6/20 0.74
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
AKR1B10 O60218 1/20 0.66
CTSD P07339 1/20 0.66
PTPRF P10586 1/20 0.66
CYP19A1 P11511 1/20 0.66
AKR1B1 P15121 1/20 0.66
CES1 P23141 1/20 0.66
HSD11B1 P28845 1/20 0.66
PTPN6 P29350 1/20 0.66
EPHX2 P34913 1/20 0.66
PTGS2 P35354 1/20 0.66
RORC P51449 1/20 0.66
RELA Q04206 1/20 0.66

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
SCHEMBL12181569 0.94 POLB (0.73) POLBRECQLPTPN2PTPN1ACP1
SCHEMBL12181572 0.94 POLB (0.73) POLBRECQLPTPN2PTPN1ACP1
SCHEMBL31237280 0.94 POLB (0.73) POLBRECQLPTPN2PTPN1ACP1
SCHEMBL6444051 0.91 PTPN1 (0.68) POLBRECQLPTPN2PTPN1ACP1
SCHEMBL3952674 0.90 POLB (0.70) POLBRECQLPTPN2PTPN1ACP1
SCHEMBL15163868 0.89 POLB (0.67) POLBRECQLPTPN2PTPN1ACP1
SCHEMBL15163860 0.89 POLB (0.67) POLBRECQLPTPN2PTPN1ACP1
O-Acetylursolic Acid SCHEMBL23793730 0.86 POLB (1.00) POLBRECQLPTPN2PTPN1ACP1
O-Acetylursolic Acid SCHEMBL22853927 0.86 POLB (1.00) POLBRECQLPTPN2PTPN1ACP1
O-Acetylursolic Acid SCHEMBL22201012 0.86 POLB (1.00) POLBRECQLPTPN2PTPN1ACP1

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-20220151970-A1 METHOD FOR PRODUCING A COMPOSITION COMPRISING A 3-O-p-COUMAROYL ESTER OF TORMENTIC ACID FROM A PLANT CELL CULTURE, APPLICATIONS THEREOF AS ANTIPARASITIC AGENT FOR THE TREATMENT OF TRYPANOSOMIASIS LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LU) 2022-05-19 US disclosed
WO-2020161221-A1 METHOD FOR PRODUCING A COMPOSITION COMPRISING A 3-O-p-COUMAROYL ESTER OF TORMENTIC ACID FROM A PLANT CELL CULTURE, APPLICATIONS THEREOF AS ANTIPARASITIC AGENT FOR THE TREATMENT OF TRYPANOSOMIASIS LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LIST) (LU) 2020-08-13 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-20220151970-A1 METHOD FOR PRODUCING A COMPOSITION COMPRISING A 3-O-p-COUMAROYL ESTER OF TORMENTIC ACID FROM A PLANT CELL CULTURE, APPLICATIONS THEREOF AS ANTIPARASITIC AGENT FOR THE TREATMENT OF TRYPANOSOMIASIS ME3, ME1, CYP51A1 POLB 1929/4885RECQL 3194/4885PTPN2 1996/4885

“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.