SCHEMBL2066003

SCHEMBL2066003

CC(=O)Oc1cc(O)cc(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP3A4 P08684 5/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TNFSF11 O14788 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ACHE P22303 4/20 0.40
PIM1 P11309 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CFD P00746 1/20 0.38

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
SCHEMBL7711465 0.84 ACHE (0.50) POLBKMT2ATNFSF11ACHEPIM1
SCHEMBL8377613 0.82 POLB (0.49) POLBHPGDTNFSF11ACHEPIM1
SCHEMBL2596535 0.78 CYP3A4 (0.63) POLBCYP3A4MEN1HPGDKMT2A
SCHEMBL8765619 0.77 TOP1 (0.53) POLBCYP3A4MEN1HPGDKMT2A
SCHEMBL2066005 0.77 CYP3A4 (0.54) POLBCYP3A4MEN1HPGDKMT2A
SCHEMBL20323322 0.75 ESR1 (0.56) POLBCYP3A4MEN1KMT2AGAA
SCHEMBL6023659 0.75 CYP3A4 (0.52) POLBCYP3A4MEN1HPGDKMT2A
SCHEMBL69301 0.74 CYP3A4 (0.56) POLBCYP3A4MEN1KMT2AACHE
SCHEMBL9744205 0.74 TDP1 (0.52) CYP3A4MEN1HPGDKMT2ANR1H2
SCHEMBL13021618 0.74 ELANE (0.50) POLBHPGDTNFSF11ACHEKDM4E

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-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 US claimed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
US-6872747-B2 Decalactones, method for making, and pharmaceuticals there from BIOTECMARIN GMBH (DE) 2005-03-29 US disclosed
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 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-20090192163-A1 Novel Compounds PAH, PC, DDC POLB 3105/4885CYP3A4 66/4885MEN1 4600/4885

“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.