SCHEMBL439140

SCHEMBL439140

Cc1ccc(C(O)c2ccc(C(c3ccc(C)cc3)c3ccc(C(O)c4ccc(C)cc4)[nH]3)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.41
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 2/20 0.33
CHRNA7 P36544 1/20 0.33
CHEK2 O96017 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRD4 O60885 1/20 0.31
STAT3 P40763 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL10073877 0.93 MLKL (0.44) MLKLKMT2AMEN1GAALMNA
SCHEMBL13814969 0.93 MLKL (0.44) MLKLKMT2AMEN1GAALMNA
SCHEMBL8986307 0.87 MLKL (0.40) MLKLKMT2AMEN1LMNATSHR
SCHEMBL14282583 0.84 MLKL (0.40) MLKLKMT2ALMNATSHRHSD17B10
SCHEMBL4376113 0.78 PTPN1 (0.33) MLKL
SCHEMBL4388274 0.78 MLKL (0.31) MLKL
SCHEMBL10297403 0.76 MLKL (0.35) MLKL
SCHEMBL10073878 0.75 ACP3 (0.46) KMT2AGAATSHRCYP2D6CYP2C19
SCHEMBL96180 0.73 ACHE (0.50) MLKLKMT2AACHECHRNA7LMNA
Hydrochloric Acid SCHEMBL29699724 0.71 ACHE (0.47) MLKLKMT2AACHECHRNA7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 US disclosed
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 US disclosed
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S (US) 2012-12-20 US disclosed
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S (US) 2012-12-20 US disclosed
US-8278439-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 US disclosed
US-8278439-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 US disclosed
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S (US) 2012-03-15 US disclosed
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S (US) 2012-03-15 US disclosed
US-8080653-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-20 US disclosed
US-8080653-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-20 US disclosed
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S 2009-09-17 US disclosed
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S 2009-09-17 US disclosed
US-7553977-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-30 US disclosed
US-7553977-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-30 US disclosed
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-30 US disclosed
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-30 US disclosed
US-7314941-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-01 US disclosed
US-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-05-17 US disclosed
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S 2007-03-08 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 (6 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-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO MLKL 4050/4885KMT2A 3335/4885MEN1 1918/4885
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO MLKL 4050/4885KMT2A 3335/4885MEN1 1918/4885
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO MLKL 4050/4885KMT2A 3335/4885MEN1 1918/4885
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO MLKL 4050/4885KMT2A 3335/4885MEN1 1918/4885
US-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates DNMT1, TET1, SOD1 MLKL 2293/4885KMT2A 441/4885MEN1 2704/4885
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO MLKL 4050/4885KMT2A 3335/4885MEN1 1918/4885

“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.