SCHEMBL1126514

SCHEMBL1126514

COCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CNR1 P21554 2/20 0.40
P2RX7 Q99572 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MCL1 Q07820 3/20 0.38
PTGER4 P35408 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36
ALAD P13716 1/20 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
SCHEMBL1127347 0.87 CNR1 (0.50) ALDH1A1CNR1HPGDCNR2
SCHEMBL1126651 0.86 CNR1 (0.45) ALDH1A1CNR1P2RX7MCL1MAPT
SCHEMBL1988373 0.81 CNR1 (0.44) ALDH1A1L3MBTL1CNR1P2RX7KDM4E
SCHEMBL1126536 0.74 CNR1 (0.46) ALDH1A1CNR1TSHRMAPTKDM4E
SCHEMBL1989510 0.74 CNR1 (0.41) ALDH1A1L3MBTL1CNR1P2RX7TSHR
SCHEMBL12584500 0.73 CCNC (0.54) ALDH1A1MAPK1MAPTKDM4ECNR2
SCHEMBL1127225 0.73 CCNC (0.41) ALDH1A1CNR1MAPK1MAPTKDM4E
SCHEMBL15162603 0.72 GABRA2 (0.45) L3MBTL1CNR1P2RX7MAPT
SCHEMBL1126490 0.69 CNR1 (0.42) ALDH1A1L3MBTL1CNR1P2RX7KDM4E
SCHEMBL1127836 0.69 P2RX7 (0.41) ALDH1A1CNR1P2RX7MAPK1KDM4E

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 219/4885L3MBTL1 1045/4885CNR1 1131/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885L3MBTL1 1045/4885CNR1 1131/4885

“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.