SCHEMBL1076006

SCHEMBL1076006

COC(=O)c1cc(Oc2cccc(C(=O)OC(C)(C)C)c2N)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CFTR P13569 2/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
PYGL P06737 1/20 0.40
GCK P35557 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.36
BRAF P15056 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 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
SCHEMBL1029137 0.81 L3MBTL1 (0.45) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL1028380 0.78 CDK8 (0.43) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL21395373 0.77 NOS2 (0.48) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL17966265 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL2608989 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL11922553 0.75 CFTR (0.50) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL1029246 0.74 GCK (0.41) ALDH1A1KDM4EGAAMAPTGCK
SCHEMBL27622981 0.73 KDM4E (0.47) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL29151997 0.73 CA12 (0.40) MAPTHPGDMEN1KMT2A
SCHEMBL2723179 0.73 ALDH1A1 (0.57) ALDH1A1HSD17B10CFTRKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R ALDH1A1 474/4885HSD17B10 1235/4885CFTR 1395/4885

“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.