SCHEMBL12263283

SCHEMBL12263283

O=C(OCc1ccccc1)c1ccc(-c2ccc[nH]c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 5/20 0.53
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.50
GAA P10253 2/20 0.46
PRKCZ Q05513 1/20 0.46
PRKDC P78527 2/20 0.45
MEN1 O00255 1/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
MMP1 P03956 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9537786 0.80 KMT2A (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9537746 0.78 KMT2A (0.79) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL11099441 0.78 KMT2A (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.78 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2396369 0.77 KDM4E (0.51) KMT2ATDP1ALDH1A1MEN1KDM4E
SCHEMBL6393682 0.75 LMNA (0.90) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL29865656 0.75 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.74 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL901058 0.74 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.74 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 EP 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 KMT2A 1892/4885TDP1 2775/4885SLC6A2 4320/4885

“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.