SCHEMBL3240740

SCHEMBL3240740

Cc1cc(-c2ccccc2)c(O[Al](Oc2c(-c3ccccc3)cc(C)cc2-c2ccccc2)Oc2c(-c3ccccc3)cc(C)cc2-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
BACE1 P56817 3/20 0.40
NUDT1 P36639 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PDE4B Q07343 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PSMB5 P28074 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38
ESR2 Q92731 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
HPRT1 P00492 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL10708888 0.81 METAP2 (0.44) METAP2BACE1NUDT1PTGDR2PDE4B
SCHEMBL757781 0.79 PDE4B (0.53) METAP2BACE1NUDT1PTGDR2PDE4B
SCHEMBL76294 0.79 ALDH1A1 (0.41) METAP2BACE1CYP2A6ALDH1A1MAPK1
SCHEMBL17036088 0.74 METAP2 (0.40) METAP2BACE1NUDT1PTGDR2PDE4B
SCHEMBL29801662 0.74 PDE4B (0.49) METAP2BACE1NUDT1PTGDR2PDE4B
SCHEMBL4473036 0.73 METAP2 (0.48) METAP2BACE1NUDT1PTGDR2PSMB5
SCHEMBL9720990 0.73 METAP2 (0.39) METAP2BACE1NUDT1PTGDR2PDE4B
SCHEMBL10599816 0.73 BACE1 (0.41) METAP2BACE1NUDT1PTGDR2PDE4B
SCHEMBL9721068 0.73 METAP2 (0.39) METAP2BACE1NUDT1PTGDR2PDE4B
SCHEMBL3240709 0.72 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DESR2

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 METAP2 4691/4885BACE1 2223/4885NUDT1 2316/4885

“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.