SCHEMBL1126884

SCHEMBL1126884

CCOC(=O)c1c[nH]cc1C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 4/20 0.44
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
ALDH1A1 P00352 6/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.40
CSNK1D P48730 1/20 0.40
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL16740459 0.94 KMT2A (0.46) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL16740447 0.77 ALDH1A1 (0.44) KMT2AMEN1KDM4ELMNAGAA
SCHEMBL4045529 0.77 TSHR (0.61) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL16247147 0.77 LMNA (0.43) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL15019745 0.75 TSHR (0.61) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL29391322 0.75 TSHR (0.50) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL6082184 0.75 PDK2 (0.43) KDM4ELMNATSHRGAAPOLB
SCHEMBL28296071 0.75 CYP1A2 (0.45) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL1790478 0.74 TSHR (0.59) KMT2AMEN1KDM4ETSHRADORA3
SCHEMBL29266111 0.74 CA12 (0.43) KDM4ELMNATSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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 (2 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KMT2A 3996/4885MEN1 77/4885KDM4E 1706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KMT2A 3996/4885MEN1 77/4885KDM4E 1706/4885

“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.