Macrocarpal H

Macrocarpal H

SCHEMBL96111

C=C1CC[C@H](C(CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.44
TRPA1 O75762 1/20 0.40
PLA2R1 Q13018 1/20 0.36

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
Macrocarpal H SCHEMBL30426500 1.00 PTPN1 (0.44) PTPN1TRPA1PLA2R1
Macrocarpal H SCHEMBL96107 1.00 PTPN1 (0.44) PTPN1TRPA1PLA2R1
SCHEMBL14142875 0.88 TRPA1 (0.43) PTPN1TRPA1PLA2R1
Macrocarpal I SCHEMBL134874 0.81 PTPN1 (0.43) PTPN1PLA2R1
Macrocarpal J SCHEMBL96425 0.81 PTPN1 (0.43) PTPN1PLA2R1
Macrocarpal I SCHEMBL29756964 0.81 PTPN1 (0.43) PTPN1PLA2R1
SCHEMBL12906575 0.73 PTPN1 (0.52) PTPN1PLA2R1
SCHEMBL12906565 0.73 PTPN1 (0.52) PTPN1PLA2R1
SCHEMBL2888923 0.67 PTPN1 (0.60) PTPN1PLA2R1
SCHEMBL3716275 0.67 PTPN1 (0.60) PTPN1PLA2R1

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-20120058172-A1 PLANT EXTRACTS FOR USE IN BRAIN MODULATION INTERMED DISCOVERY GMBH (DE) 2012-03-08 US disclosed
US-20120058172-A1 PLANT EXTRACTS FOR USE IN BRAIN MODULATION INTERMED DISCOVERY GMBH (DE) 2012-03-08 US disclosed
WO-2008074420-A1 PLANTS EXTRACTS FOR USE IN BRAIN MODULATION INTERMED DISCOVERY GMBH (DE) 2008-06-26 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-20120058172-A1 PLANT EXTRACTS FOR USE IN BRAIN MODULATION PYGB, FABP7, LANCL1 PTPN1 3808/4885TRPA1 3242/4885PLA2R1 1998/4885

“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.