SCHEMBL3240709

SCHEMBL3240709

Cc1cc(C)c(-c2ccccc2)c(O[Al](Oc2c(-c3ccccc3)c(C)cc(C)c2-c2ccccc2)Oc2c(-c3ccccc3)c(C)cc(C)c2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.37
PDE4A P27815 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 3/20 0.33
AKT2 P31751 2/20 0.33
BRD4 O60885 2/20 0.33
CHEK1 O14757 1/20 0.33
BRD2 P25440 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
TDO2 P48775 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3241084 0.78 NPC1 (0.34) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL5551256 0.73 MAPT (0.42) MAPTAKT2BRD4CHEK1BRD2
SCHEMBL3240740 0.72 METAP2 (0.41) PDE4BPDE4APDE4CPDE4DESR2
SCHEMBL20873646 0.71 MAPT (0.43) PPARGPPARAMAPTAKT2BRD4
SCHEMBL29473773 0.71 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL24848661 0.70 MAPT (0.39) PPARGPPARAMAPTAKT2BRD4
SCHEMBL5951481 0.70 MAPT (0.44) PPARGPPARAMAPTAKT2BRD4
SCHEMBL959273 0.70 ALDH1A1 (0.44) PPARGPPARAMAPTAKT2BRD4
SCHEMBL24570925 0.70 BRD4 (0.44) MAPTAKT2BRD4CHEK1BRD2
SCHEMBL1470574 0.70 MAPT (0.44) PPARGPPARAMAPTAKT2BRD4

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
EP-1225163-B1 Process for producing isopulegol TAKASAGO PERFUMERY CO LTD (JP) 2010-07-28 EP disclosed
US-6774269-B2 CYCLIZATION OF CITRONELLAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-10 US disclosed
US-20020133046-A1 Process for producing isopulegol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-19 US disclosed
EP-1225163-A2 Process for producing isopulegol Takasago International Corporation (JP) 2002-07-24 EP 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-20020133046-A1 Process for producing isopulegol ACSL3, ACSL1, ACSL6 PDE4B 3119/4885PDE4A 3064/4885PDE4C 3521/4885

“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.