SCHEMBL1990176

SCHEMBL1990176

CCOC(=O)C(=O)c1c(-c2ccccc2)cc(COC)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 1/20 0.38
DGAT1 O75907 1/20 0.37

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
SCHEMBL16500197 0.88 ALDH1A1 (0.44) ALDH1A1HTTATML3MBTL1KDM4E
SCHEMBL15162338 0.87 ALDH1A1 (0.43) ALDH1A1HTTATML3MBTL1KDM4E
SCHEMBL1993379 0.85 GABRA1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL16500196 0.79 ALDH1A1 (0.45) ALDH1A1HTTATML3MBTL1KDM4E
SCHEMBL1646887 0.73 HTT (0.51) ALDH1A1HTTATML3MBTL1KDM4E
SCHEMBL1646251 0.72 L3MBTL1 (0.50) ALDH1A1HTTATML3MBTL1KDM4E
SCHEMBL1127705 0.72 KDM4E (0.36) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL31585835 0.72 GABRA1 (0.45) ALDH1A1HTTL3MBTL1KDM4ESMN1; SMN2
SCHEMBL1127204 0.70 THRB (0.40) ALDH1A1HTTL3MBTL1KDM4EGAA
SCHEMBL26111381 0.70 ALDH1A1 (0.51) ALDH1A1HTTATML3MBTL1KDM4E

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 7 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

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 219/4885HTT 776/4885ATM 4142/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885HTT 776/4885ATM 4142/4885

“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.