SCHEMBL22653145

SCHEMBL22653145

c1ccc(COC[C@H](COCCOC2CCCCO2)OCCOC2CCCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
CA1 P00915 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
FOXM1 Q08050 1/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL22633364 1.00 KDM4C (0.41) KDM4CMEN1KMT2APOLBPLA2G10
SCHEMBL3506600 0.98 KDM4C (0.42) KDM4CMEN1KMT2APOLBPLA2G10
SCHEMBL4824612 0.92 MEN1 (0.48) KDM4CMEN1KMT2APOLBPLA2G10
SCHEMBL24209614 0.90 MEN1 (0.47) KDM4CMEN1KMT2APLA2G10PLA2G2A
SCHEMBL27129003 0.86 KDM4C (0.41) KDM4CMEN1KMT2APOLBCA1
SCHEMBL27032269 0.86 KDM4C (0.41) KDM4CMEN1KMT2APOLBCA1
SCHEMBL27031868 0.86 KDM4C (0.41) KDM4CMEN1KMT2APOLBCA1
SCHEMBL19750677 0.86 KDM4C (0.37) KDM4CMEN1KMT2APOLBCA1
SCHEMBL27031980 0.85 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL21068487 0.85 KDM4C (0.41) KDM4CMEN1KMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576986-B2 Macrocyclic chelators and methods of use thereof JANSSEN BIOTECH, INC. (US) 2023-02-14 US disclosed
EP-3966211-A1 MACROCYCLIC CHELATORS AND METHODS OF USE THEREOF Janssen Biotech, Inc. (US) 2022-03-16 EP disclosed
WO-2020229974-A1 MACROCYCLIC CHELATORS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. (US) 2020-11-19 WO disclosed
US-20200353105-A1 Macrocyclic Chelators and Methods of Use Thereof JANSSEN BIOTECH, INC. 2020-11-12 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-20200353105-A1 Macrocyclic Chelators and Methods of Use Thereof CLASP1, CLTC, CD47 KDM4C 1287/4885MEN1 173/4885KMT2A 2417/4885
US-11576986-B2 Macrocyclic chelators and methods of use thereof CLASP1, CLTC, CD47 KDM4C 1287/4885MEN1 173/4885KMT2A 2417/4885

“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.