SCHEMBL13745873

SCHEMBL13745873

CCOC(=O)CC(=O)c1cc(F)cc(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MIF P14174 1/20 0.41
MAPT P10636 5/20 0.39
CYP1A2 P05177 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NLRP3 Q96P20 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL28668073 0.86 MIF (0.43) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL1185918 0.86 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EMGAM
SCHEMBL30958584 0.86 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EMGAM
SCHEMBL6414965 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4EMGAM
SCHEMBL3190037 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EMGAM
SCHEMBL1348394 0.82 GAA (0.47) MEN1KMT2AALDH1A1KDM4EMGAM
SCHEMBL1349347 0.82 MGAM (0.47) MEN1KMT2AALDH1A1KDM4EMGAM
SCHEMBL3190199 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EMGAM
Acetic Acid SCHEMBL8870017 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4EMGAM
SCHEMBL2915243 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4EMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 US disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 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-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYP2W1, NQO2, UGT2B7 CES2 152/4885CES1 501/4885MEN1 3705/4885

“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.