SCHEMBL574740

SCHEMBL574740

COc1ccc(C(Nc2ccc(C(=O)O)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PTGS2 P35354 1/20 0.51
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
KCNK9 Q9NPC2 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
F10 P00742 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
SCHEMBL8824303 0.80 CA1 (0.67) CA1CA2RAB9ANPC1SMN1; SMN2
P-Anisic Acid SCHEMBL27338972 0.78 CA1 (0.95) CA1CA2RAB9ANPC1SMN1; SMN2
SCHEMBL4478523 0.77 MEN1 (0.54) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL5442673 0.76 CA1 (0.77) CA1CA2RAB9ANPC1SMN1; SMN2
P-Anisic Acid SCHEMBL1157044 0.76 CA1 (1.00) CA1CA2RAB9ANPC1SMN1; SMN2
P-Anisic Acid SCHEMBL43335 0.76 CA1 (1.00) CA1CA2RAB9ANPC1SMN1; SMN2
SCHEMBL11729306 0.75 RAB9A (0.86) CA1CA2RAB9ANPC1SMN1; SMN2
P-Anisic Acid SCHEMBL27622882 0.75 CA1 (0.69) CA1CA2RAB9ANPC1SMN1; SMN2
SCHEMBL8353010 0.75 CA1 (0.74) CA1CA2RAB9ANPC1SMN1; SMN2
Terephthalic Acid SCHEMBL8989156 0.75 CA1 (0.74) CA1CA2RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622572-B1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY SIRNA THERAPEUTICS INC (US) 2017-12-20 EP disclosed
EP-3231445-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY Sirna Therapeutics, Inc. (US) 2017-10-18 EP disclosed
EP-3222294-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY Sirna Therapeutics, Inc. (US) 2017-09-27 EP disclosed
EP-2415486-B1 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS INC (US) 2017-02-22 EP disclosed
US-8461313-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2013-06-11 US disclosed
US-20120202983-A1 Conjugates and Compositions for Cellular Delivery SIRNA THERAPEUTICS, INC. (US) 2012-08-09 US disclosed
US-8188247-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2012-05-29 US disclosed
EP-2415486-A2 Conjugates and compositions for cellular delivery Sirna Therapeutics, Inc. (US) 2012-02-08 EP disclosed
US-7964578-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2011-06-21 US disclosed
US-20110124853-A1 Conjugates and Compositions for Cellular Delivery CHEN TONGQIAN 2011-05-26 US disclosed
US-20100331535-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY MATULIC-ADAMIC JASENKA 2010-12-30 US disclosed
US-7858625-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2010-12-28 US disclosed
US-7833992-B2 biological conjugates used for drug delivery; side effect reduction MERCK SHARPE & DOHME (US) 2010-11-16 US disclosed
US-20090264636-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY SIRNA THERAPEUTICS, INC. (US) 2009-10-22 US disclosed
US-7491805-B2 Biological conjugates used for drug delivery; side effect reduction SIRNA THERAPEUTICS, INC. (US) 2009-02-17 US disclosed
US-7109165-B2 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. (US) 2006-09-19 US disclosed
US-20050239739-A1 Conjugates and compositions for cellular delivery SIRNA THERAPEUTICS, INC. 2005-10-27 US disclosed
US-20040249178-A1 Biological conjugates used for drug delivery; side effect reduction SIRNA THERAPEUTICS, INC. (US) 2004-12-09 US disclosed
US-20040110296-A1 biological conjugates used for drug delivery; side effect reduction RIBOZYME PHARMACEUTICALS, INC. 2004-06-10 US disclosed
US-20030104985-A1 Conjugates and compositions for cellular delivery BANK OF AMERICA, N.A. 2003-06-05 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 (8 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-20050239739-A1 Conjugates and compositions for cellular delivery MTHFD1, FOLR1, FOLR2 CA1 1594/4885CA2 2395/4885RAB9A 3177/4885
US-20110124853-A1 Conjugates and Compositions for Cellular Delivery ALB, PHAX, HEXA CA1 1903/4885CA2 3820/4885RAB9A 2898/4885
US-20030104985-A1 Conjugates and compositions for cellular delivery MTHFD1, FOLR1, FOLR2 CA1 1594/4885CA2 2395/4885RAB9A 3177/4885
US-20120202983-A1 Conjugates and Compositions for Cellular Delivery MTHFD1, FOLR1, FOLR2 CA1 1594/4885CA2 2395/4885RAB9A 3177/4885
US-20090264636-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY ALB, PHAX, HEXA CA1 1903/4885CA2 3820/4885RAB9A 2898/4885
US-20100331535-A1 CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY MTHFD1, FOLR1, FOLR2 CA1 1594/4885CA2 2395/4885RAB9A 3177/4885
US-20040249178-A1 Biological conjugates used for drug delivery; side effect reduction ALB, HEXA, ADAR CA1 2054/4885CA2 3528/4885RAB9A 2851/4885
US-20040110296-A1 biological conjugates used for drug delivery; side effect reduction ALB, HEXA, ADAR CA1 2054/4885CA2 3528/4885RAB9A 2851/4885

“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.