SCHEMBL1127430

SCHEMBL1127430

CCOC(=O)c1c[nH]cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
NUDT1 P36639 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
NR1H2 P55055 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL4045529 0.82 TSHR (0.61) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL1156156 0.79 NR4A2 (0.40) KMT2ATSHRALDH1A1MAPTLMNA
SCHEMBL4263806 0.78 KMT2A (0.45) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL969677 0.77 TSHR (0.55) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL7439372 0.77 KMT2A (0.61) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL739464 0.76 TSHR (0.71) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL1126625 0.76 ALDH1A1 (0.49) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL4880908 0.76 TSHR (0.53) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL4046233 0.76 TSHR (0.53) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL31540155 0.76 KMT2A (0.58) KMT2AMEN1TSHRALDH1A1MAPT

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 77/4885TSHR 1769/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KMT2A 3996/4885MEN1 77/4885TSHR 1769/4885

“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.