SCHEMBL4484847

SCHEMBL4484847

CC(C)(C)c1cc(OCCNC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SCN2A Q99250 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 4/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TYR P14679 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL8959175 0.80 CA2 (0.63) CA2CA1POLBGAAKMT2A
SCHEMBL28560102 0.80 MCL1 (0.53) CA2CA1POLBGAAKMT2A
SCHEMBL8959195 0.78 CA2 (0.61) CA2CA1POLBSCN2AGAA
SCHEMBL9700077 0.78 CA2 (0.52) CA2CA1POLBGAAKMT2A
SCHEMBL8959243 0.77 CA2 (0.59) CA2CA1POLBSCN2AGAA
SCHEMBL4402699 0.76 GPR55 (0.55) CA2CA1POLBKMT2AALDH1A1
SCHEMBL11586010 0.75 CA2 (0.57) CA2CA1POLBGAAKMT2A
SCHEMBL10360929 0.74 GAA (0.70) CA2POLBGAAKMT2AALDH1A1
SCHEMBL10990333 0.74 CA2 (0.55) CA2CA1POLBNPC1RAB9A
SCHEMBL15261631 0.73 ALDH1A1 (0.52) POLBNPC1MTNR1AMTNR1BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 CA2 1086/4885CA1 4504/4885POLB 2764/4885

“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.