SCHEMBL23728442

SCHEMBL23728442

C=CC(C)(C)c1cc(C=C[C]=O)c(OC)cc1O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 12/20 0.61
▸ DPP4 P27487 2/20 0.61
▸ ABCB1 P08183 2/20 0.61
▸ IDH1 O75874 1/20 0.61
▸ UGT1A1 P22309 1/20 0.61
▸ ABCC1 P33527 1/20 0.61
▸ PRMT6 Q96LA8 1/20 0.61
▸ ABCG2 Q9UNQ0 1/20 0.61
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.34
▸ SNCA P37840 1/20 0.34

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
SCHEMBL23728440 1.00 PTPN1 (0.61) PTPN1DPP4ABCB1IDH1UGT1A1
SCHEMBL7184666 0.82 PTPN1 (0.60) PTPN1DPP4ABCB1IDH1UGT1A1
Licoagrochacone A SCHEMBL29929441 0.76 PTPN1 (1.00) PTPN1DPP4ABCB1IDH1UGT1A1
Licoagrochacone A SCHEMBL4906294 0.76 PTPN1 (1.00) PTPN1DPP4ABCB1IDH1UGT1A1
Licoagrochacone A SCHEMBL30383634 0.76 PTPN1 (1.00) PTPN1DPP4ABCB1IDH1UGT1A1
Licoagrochacone A SCHEMBL114042 0.76 PTPN1 (1.00) PTPN1DPP4ABCB1IDH1UGT1A1
SCHEMBL24026322 0.75 PTPN1 (0.85) PTPN1DPP4ABCB1IDH1UGT1A1
SCHEMBL2119650 0.71 HMGCR (0.59) ABCG2CYP3A4NFE2L2SNCA
SCHEMBL2119648 0.71 HMGCR (0.59) ABCG2CYP3A4NFE2L2SNCA
SCHEMBL7185962 0.70 PTPN1 (0.81) PTPN1DPP4ABCB1IDH1UGT1A1

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-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 — — US claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 — — WO claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 — — US disclosed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 — — 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-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB PTPN1 4752/4885DPP4 1104/4885ABCB1 719/4885

“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.

Send feedback