SCHEMBL19257530

SCHEMBL19257530

CC1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)c(c32)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.54
TOP2B Q02880 4/20 0.54
TOP1 P11387 1/20 0.54
KDM4E B2RXH2 11/20 0.52
ALDH1A1 P00352 8/20 0.52
HPGD P15428 8/20 0.52
HSD17B10 Q99714 8/20 0.52
ALB P02768 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
AADAT Q8N5Z0 2/20 0.51
POLB P06746 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51

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
SCHEMBL10550996 0.89 KDM4E (0.65) TOP2ATOP1KDM4EALDH1A1HPGD
SCHEMBL22864334 0.89 LMNA (0.62) TOP2ATOP2BTOP1KDM4EALDH1A1
SCHEMBL10570723 0.87 TOP2A (0.53) TOP2ATOP2BTOP1KDM4EALDH1A1
SCHEMBL25377579 0.85 KDM4E (0.51) TOP2ATOP2BTOP1KDM4EALDH1A1
SCHEMBL10570106 0.85 TOP2A (0.58) TOP2ATOP2BTOP1KDM4EALDH1A1
SCHEMBL5595372 0.83 KDM4E (0.49) TOP2ATOP2BTOP1KDM4EALDH1A1
SCHEMBL10679871 0.83 KCNH2 (0.61) TOP2ATOP2BTOP1AADATKCNH2
SCHEMBL10433824 0.82 KDM4E (0.45) TOP2ATOP2BTOP1KDM4EALDH1A1
SCHEMBL10434044 0.82 KDM4E (0.45) TOP2ATOP2BTOP1KDM4EALDH1A1
SCHEMBL10550772 0.82 KDM4E (0.45) TOP2ATOP2BTOP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345594-B1 SOLUBILIZED FLAVONOID COMPOSITION TECH INVESTMENTS LC (US) 2021-11-17 EP disclosed
US-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND VIZURI HEALTH SCIENCES CONSUMER HEALTHCARE, INC. 2017-10-19 US disclosed
US-9730953-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compound VIZURI HEALTH SCIENCES LLC (US) 2017-08-15 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-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND ABCG2, CYP2F1, LSS TOP2A 2356/4885TOP2B 2643/4885TOP1 1811/4885

“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.