SCHEMBL1821602

SCHEMBL1821602

CCCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
TP53 P04637 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2R P25116 1/20 0.48
LMNA P02545 1/20 0.47
PTGER1 P34995 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL19559575 0.91 GAA (0.52) GAATP53ALDH1A1KMT2AMEN1
SCHEMBL15020959 0.86 GAA (0.55) GAAALDH1A1POLBNPC1RAB9A
SCHEMBL12836916 0.86 GAA (0.55) GAAALDH1A1POLBNPC1RAB9A
SCHEMBL29141123 0.85 KMT2A (0.56) GAAALDH1A1KMT2AMEN1HPGD
SCHEMBL9165207 0.83 SOAT2 (0.55) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL11221078 0.83 SMN1; SMN2 (0.64) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL21998926 0.83 SOAT2 (0.55) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL21998908 0.83 SOAT2 (0.55) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL1819402 0.82 KDM4E (0.61) GAATP53ALDH1A1KMT2AMEN1
SCHEMBL265614 0.81 TP53 (0.70) TP53ALDH1A1HPGDMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316819-B1 Self-assembled nanostructures XEROX CORP (US) 2017-11-08 EP disclosed
EP-2316819-B1 Self-assembled nanostructures XEROX CORP (US) 2017-11-08 EP disclosed
US-8703988-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2014-04-22 US disclosed
US-8703988-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2014-04-22 US disclosed
US-8703988-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2014-04-22 US disclosed
US-20110311813-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-12-22 US disclosed
US-20110311813-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-12-22 US disclosed
US-20110311813-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-12-22 US disclosed
EP-2316819-A2 Self-assembled nanostructures Xerox Corporation (US) 2011-05-04 EP disclosed
EP-2316819-A2 Self-assembled nanostructures Xerox Corporation (US) 2011-05-04 EP 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-20110311813-A1 SELF-ASSEMBLED NANOSTRUCTURES ARG1, H1-3, H1-4 GAA 2654/4885TP53 992/4885ALDH1A1 1868/4885

“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.