SCHEMBL3585805

SCHEMBL3585805

CCC(C(=O)O)c1ccc(OC2CCN(CC(O)(c3cn(-c4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TACR1 P25103 1/20 0.33
PDE4A P27815 2/20 0.32
KCNJ1 P48048 1/20 0.32
CCR5 P51681 1/20 0.32
PLA2G4A P47712 1/20 0.32
LTB4R Q15722 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3585808 1.00 AKR1C3 (0.37) AKR1C3AKR1C2MEN1KMT2AALDH1A1
SCHEMBL3602359 0.90 AKR1C3 (0.37) AKR1C3AKR1C2ALDH1A1CYP2D6SLC6A2
SCHEMBL3602364 0.90 AKR1C3 (0.37) AKR1C3AKR1C2ALDH1A1CYP2D6SLC6A2
SCHEMBL3592767 0.88 CCR5 (0.36) MEN1KMT2AALDH1A1KCNJ1CCR5
SCHEMBL3585732 0.87 AKR1C3 (0.37) AKR1C3AKR1C2MEN1KMT2AALDH1A1
SCHEMBL3585737 0.87 AKR1C3 (0.37) AKR1C3AKR1C2MEN1KMT2AALDH1A1
SCHEMBL3585504 0.86 AKR1C3 (0.36) AKR1C3AKR1C2ALDH1A1CYP2D6SLC6A2
SCHEMBL3586837 0.86 AKR1C3 (0.36) AKR1C3AKR1C2ALDH1A1CYP2D6SLC6A2
SCHEMBL3585512 0.86 AKR1C3 (0.36) AKR1C3AKR1C2ALDH1A1CYP2D6SLC6A2
SCHEMBL3586832 0.86 AKR1C3 (0.36) AKR1C3AKR1C2ALDH1A1CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 AKR1C3 278/4885AKR1C2 614/4885MEN1 3628/4885

“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.