SCHEMBL18211356

SCHEMBL18211356

CC(C)C(=O)Oc1ccc(C(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.50
XBP1 P17861 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 2/20 0.47
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
LMNA P02545 2/20 0.43
PTGS2 P35354 1/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL14839083 0.94 ELANE (0.59) ELANESMN1; SMN2HPGDXBP1KDM4E
SCHEMBL21795326 0.89 ELANE (0.79) ELANEALDH1A1MAPTRAB9AMEN1
SCHEMBL1714626 0.85 LMNA (0.59) ELANESMN1; SMN2HPGDXBP1KDM4E
SCHEMBL20472709 0.84 SMN1; SMN2 (0.50) ELANESMN1; SMN2HPGDXBP1KDM4E
SCHEMBL10458486 0.83 ELANE (0.51) ELANEMAPTLMNAPTGS2L3MBTL1
Hydrogen Peroxide SCHEMBL9578945 0.83 LMNA (0.57) ELANESMN1; SMN2HPGDXBP1KDM4E
SCHEMBL4185924 0.83 ELANE (0.66) ELANESMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL11791125 0.83 LMNA (0.57) ELANESMN1; SMN2HPGDXBP1KDM4E
SCHEMBL4683823 0.83 ELANE (0.66) ELANEKDM4EALDH1A1MAPTPRSS1
SCHEMBL21325759 0.83 ELANE (0.70) ELANEMAPTRAB9ALMNA

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
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 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 (2 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-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 ELANE 4152/4885SMN1; SMN2 4223/4885HPGD 3782/4885
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS ELANE 2822/4885SMN1; SMN2 4686/4885HPGD 2123/4885

“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.