SCHEMBL3939699

SCHEMBL3939699

[CH2]Cc1cc(OC)nc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
PDE2A O00408 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL17469030 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHTTCYP1A2LOX
SCHEMBL2547333 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHTTCYP1A2LOX
SCHEMBL3444983 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHTTCYP1A2LOX
SCHEMBL2855188 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHTTCYP1A2LOX
SCHEMBL3941277 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHTTCYP1A2LOX
SCHEMBL14288598 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHTTLOXLOXL2
SCHEMBL130180 0.74 LOXL2 (0.67) LOXLOXL2
SCHEMBL27593885 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EHTTLOXLOXL2
SCHEMBL3445901 0.71 RECQL (0.42) ALDH1A1KDM4EHTTLOXLOXL2
SCHEMBL3444212 0.71 PTGS1 (0.53) ALDH1A1KDM4ECYP1A2LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN claimed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP claimed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO claimed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US claimed
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2009019518-A1 PYRIMIDINE COMPOUNDS HAVING A FGFR INHIBITORY EFFECT ASTRAZENECA AB (SE) 2009-02-12 WO disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 ALDH1A1 422/4885KDM4E 3977/4885HTT 3124/4885

“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.