SCHEMBL1126839

SCHEMBL1126839

Cc1cc(-c2ccccc2)cn1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 2/20 0.42
BRD4 O60885 1/20 0.42
PTGS1 P23219 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCC4 O15439 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 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
SCHEMBL1126880 0.83 CNR2 (0.48) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL1126957 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL1126875 0.80 MEN1 (0.51) ALDH1A1MAPTPTGS2KMT2AMEN1
SCHEMBL1126585 0.79 BRD4 (0.42) ALDH1A1KDM4EMAPTL3MBTL1KMT2A
SCHEMBL1126676 0.79 BRD4 (0.39) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL1126694 0.79 BRD4 (0.42) ALDH1A1KDM4ELMNABRD4PTGS1
SCHEMBL1126926 0.77 SLC18A3 (0.43) ALDH1A1KDM4ERECQLHPGDBRD4
SCHEMBL1126684 0.77 KDM4E (0.50) KDM4EL3MBTL1
SCHEMBL1126929 0.76 TYR (0.46) ALDH1A1KDM4EBRD4TSHRGAA
SCHEMBL1126628 0.76 CCNC (0.46) L3MBTL1HPGDBRD4

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 ALDH1A1 219/4885KDM4E 1706/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KDM4E 1706/4885MAPT 1696/4885

“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.