SCHEMBL15328985

SCHEMBL15328985

COc1cc(OC)c2cnc(-c3cc(C)c(O)c(C)c3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
FYN P06241 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 6/20 0.36

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
SCHEMBL15329337 0.87 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19PDGFRBPDGFRA
SCHEMBL15329423 0.86 TLR8 (0.49) ALDH1A1CYP1A2CYP2C19PDGFRBPDGFRA
SCHEMBL348350 0.86 CYP1A2 (0.47) ALDH1A1CYP1A2CYP2C19PDGFRBPDGFRA
SCHEMBL347611 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19PDGFRBPDGFRA
SCHEMBL15327931 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19PDGFRBPDGFRA
SCHEMBL29430467 0.84 BRD4 (0.47) HDAC6
SCHEMBL347520 0.84 BRD4 (0.47) HDAC6
SCHEMBL28158848 0.84 CA1 (0.48) ALDH1A1CYP1A2CYP2C19PDGFRBPDGFRA
SCHEMBL346309 0.83 PDGFRB (0.50) ALDH1A1CYP1A2CYP2C19PDGFRBPDGFRA
SCHEMBL16516706 0.81 LMNA (0.37) ALDH1A1CYP1A2CYP2C19KDM4ECYP3A4

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
CN-102458405-B Novel anti-inflammatory agents 雷斯韦洛吉克斯公司 2017-06-23 CN disclosed
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 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-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BRD4, BMI1, BRPF3 ALDH1A1 4671/4885CYP1A2 4781/4885CYP2C19 4880/4885

“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.