SCHEMBL22402306

SCHEMBL22402306

CCCCOC(=O)c1cc[n+](O)c(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
S1PR1 P21453 1/20 0.38

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
SCHEMBL22402312 0.96 ESR1 (0.44) ESR1ALDH1A1LMNATSHRS1PR1
SCHEMBL22402325 0.96 ESR1 (0.44) ESR1ALDH1A1LMNATSHRS1PR1
SCHEMBL30725560 0.89 MEN1 (0.42) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL22390134 0.89 MEN1 (0.42) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL30725555 0.85 LMNA (0.42) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL22390151 0.85 LMNA (0.42) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL22390148 0.85 LMNA (0.42) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL30725556 0.85 LMNA (0.42) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL22402308 0.83 KMT2A (0.45) MEN1KMT2AALDH1A1LMNACYP2C19
SCHEMBL22402357 0.82 CA12 (0.37) MEN1KMT2AALDH1A1CYP2D6SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200282331-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2020-09-10 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-20200282331-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF SCLY, SFXN1, PTCD3 ESR1 2531/4885MEN1 194/4885KMT2A 4490/4885

“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.