SCHEMBL4398454

SCHEMBL4398454

CC(C)(C)OC(=O)COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
CA1 P00915 2/20 0.49
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
VCAM1 P19320 7/20 0.43
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5373274 0.83 ALDH1A1 (0.50) MAPTLMNANPSR1POLBCYP2C9
SCHEMBL4402699 0.81 GPR55 (0.55) CA2CA1MAPTLMNAVCAM1
SCHEMBL5322689 0.80 MAPT (0.47) MAPTLMNANPSR1POLBCYP2C9
E319 SCHEMBL6507343 0.79 ALDH1A1 (0.53) MAPTLMNANPSR1POLBCYP2C9
SCHEMBL785195 0.77 HDAC8 (0.52) LMNAPOLBCYP2C19ALDH1A1MEN1
SCHEMBL8144482 0.77 ALDH1A1 (0.47) CA2CA1MAPTLMNAVCAM1
SCHEMBL5914742 0.77 MAPT (0.43) MAPTLMNANPSR1POLBCYP2C9
SCHEMBL14720986 0.77 MAPT (0.43) MAPTLMNANPSR1POLBCYP2C9
SCHEMBL9731510 0.76 GAA (0.57) CA2CA1MAPTLMNAVCAM1
SCHEMBL13144873 0.76 MAPT (0.46) CA1MAPTLMNANPSR1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 US disclosed
US-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 US disclosed
US-6747024-B1 INHIBITING CALPAIN AND/OR REACTIVE OXYGEN SPECIES IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-06-08 US disclosed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 US 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 (3 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-20040180936-A1 Heterocyclic compounds and their use as medicaments CAPN1, CAPN2, CAPNS1 CA2 77/4885CA1 1169/4885MAPT 1874/4885
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 CA2 1086/4885CA1 4504/4885MAPT 2048/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 CA2 3804/4885CA1 4691/4885MAPT 1719/4885

“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.