SCHEMBL13428306

SCHEMBL13428306

CC/N=c1\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(C)=O)c-2cc1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ BLM P54132 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ USP2 O75604 3/20 0.34
▸ THRB P10828 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ GAA P10253 3/20 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
SCHEMBL1095520 0.93 FTO (0.43) FTOKDM4EMEN1MAPTBLM
SCHEMBL3626595 0.93 FTO (0.43) FTOKDM4EMEN1MAPTBLM
SCHEMBL9915064 0.93 FTO (0.43) FTOKDM4EMEN1MAPTBLM
SCHEMBL16728234 0.92 FTO (0.35) FTOKDM4EMEN1MAPTBLM
Hydrochloric Acid SCHEMBL9638604 0.92 FTO (0.42) FTOKDM4EMEN1MAPTBLM
Hydrochloric Acid SCHEMBL12492233 0.92 FTO (0.42) FTOKDM4EMEN1MAPTBLM
SCHEMBL13311374 0.91 ABCB1 (0.44) FTOKDM4EMEN1MAPTBLM
Rhodamine 6G SCHEMBL10028465 0.90 ABCB1 (0.38) FTOKDM4EMEN1MAPTBLM
SCHEMBL9637519 0.90 FTO (0.43) FTOKDM4EMEN1MAPTBLM
Hydrochloric Acid SCHEMBL29460430 0.90 USP2 (0.44) FTOKDM4EMEN1MAPTBLM

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-20140357569-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2014-12-04 — — US disclosed
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 — — US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 — — 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-20140357569-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 FTO 2192/4885KDM4E 2905/4885MEN1 1363/4885

“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.

Send feedback