SCHEMBL5456496

SCHEMBL5456496

NC(C(=O)OCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
SRD5A2 P31213 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLA2G4B P0C869 1/20 0.47
ANPEP P15144 1/20 0.46
ALDH1A1 P00352 5/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
LTA4H P09960 1/20 0.44
LAP3 P28838 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL11472824 0.89 ALDH1A1 (0.53) LMNAKMT2ASLC6A2SLC6A3TDP1
SCHEMBL1745793 0.89 ALDH1A1 (0.53) LMNAKMT2ASLC6A2SLC6A3TDP1
SCHEMBL8804399 0.89 ALDH1A1 (0.53) LMNAKMT2ASLC6A2SLC6A3TDP1
Hydrochloric Acid SCHEMBL10886394 0.87 ALDH1A1 (0.52) LMNAKMT2ASLC6A2SLC6A3TDP1
SCHEMBL6964262 0.86 CNR2 (0.48) LMNAKMT2ASLC6A2SLC6A3TDP1
Hydrochloric Acid SCHEMBL5552487 0.84 ALDH1A1 (0.46) KMT2ASLC6A2SLC6A3TDP1ALDH1A1
SCHEMBL29261445 0.84 CNR2 (0.47) KMT2ASLC6A2SLC6A3TDP1ALDH1A1
SCHEMBL31652735 0.84 CNR2 (0.47) KMT2ASLC6A2SLC6A3TDP1ALDH1A1
SCHEMBL5944007 0.84 RXRA (0.53) NR4A1NR4A2NR4A3SRD5A2RXRA
Hydrochloric Acid SCHEMBL31652655 0.83 CNR2 (0.46) KMT2ASLC6A2SLC6A3TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO disclosed
US-5506267-A IMMUNOADJUVANT FOR BONE MARROW CELL GROWTH AFTERTREATMENT OF CHEMOTHERAPY OR RADIOTHERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0641776-A2 Thioglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-08 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 NR4A1 4634/4885NR4A2 4597/4885NR4A3 4344/4885

“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.