SCHEMBL4037256

SCHEMBL4037256

COc1ccc(-c2nc(C)ccc2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 3/20 0.57
RAB9A P51151 1/20 0.54
SYK P43405 3/20 0.49
AURKB Q96GD4 2/20 0.49
INCENP Q9NQS7 2/20 0.49
GAA P10253 1/20 0.49
ESR2 Q92731 1/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
FYN P06241 1/20 0.45

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
SCHEMBL8678271 0.83 ESR2 (0.56) KDM4ESYKAURKBINCENPGAA
Hydrochloric Acid SCHEMBL5904242 0.80 KMT2A (0.53) ALDH1A1HPGDKDM4ESYKAURKB
SCHEMBL3944878 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERAB9AALOX5
SCHEMBL8592649 0.79 KDM4E (0.46) ALDH1A1HPGDKDM4ERAB9AGAA
SCHEMBL20124614 0.79 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ERAB9ASYK
Dimethylamine SCHEMBL5358041 0.77 KMT2A (0.50) ALDH1A1HPGDKDM4ESYKAURKB
SCHEMBL9356023 0.77 KDM4E (0.54) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL15832030 0.76 SYK (0.48) ALDH1A1HPGDKDM4ERAB9ASYK
Dimethylamine SCHEMBL9695311 0.76 KMT2A (0.49) ALDH1A1HPGDKDM4ESYKAURKB
SCHEMBL15832020 0.76 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ERAB9ASYK

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 ALDH1A1 163/4885HPGD 2761/4885KDM4E 894/4885

“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.