SCHEMBL89363

SCHEMBL89363

CCc1cc(OC)nc(OCCCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
PTGS2 P35354 1/20 0.36
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.33
ALOX5 P09917 1/20 0.32
PDE2A O00408 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL88767 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EPTGS2LMNAGAA
SCHEMBL1911369 0.85 ALDH1A1 (0.36) ALDH1A1KDM4ELOXLOXL2LMNA
SCHEMBL13490769 0.83 SMN1; SMN2 (0.36) ALDH1A1KDM4EPTGS2LMNAGAA
SCHEMBL17469030 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EPTGS2LOXLOXL2
SCHEMBL89628 0.77 KDM4E (0.50) ALDH1A1KDM4EPTGS2LMNAFFAR4
SCHEMBL89165 0.77 FDPS (0.38) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL89627 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMEN1POLB
SCHEMBL13490772 0.76 LOXL2 (0.46) ALDH1A1KDM4ELOXLOXL2LMNA
SCHEMBL15087930 0.76 MEN1 (0.30) ALDH1A1LMNAGAAMEN1GLA
SCHEMBL89635 0.76 CBFB (0.33) ALDH1A1KDM4ELMNAGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885KDM4E 1650/4885PTGS2 252/4885

“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.