SCHEMBL1994935

SCHEMBL1994935

CCOCCn1c(C)c(C(=O)OCC)c(-c2ccccc2)c1C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AR P10275 5/20 0.48
TDP2 O95551 1/20 0.47
NSD2 O96028 1/20 0.47
PLCG1 P19174 1/20 0.47
PAX8 Q06710 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GRM6 O15303 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1126643 0.90 TSHR (0.54) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1127099 0.89 TSHR (0.57) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1127192 0.88 TSHR (0.51) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1126745 0.88 TSHR (0.52) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1126814 0.88 TSHR (0.53) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1126553 0.86 TSHR (0.55) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1126564 0.86 TSHR (0.58) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1994159 0.85 TSHR (0.54) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1127111 0.85 KDM4E (0.45) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1993390 0.84 TSHR (0.53) TSHRMAPTSMN1; SMN2ALDH1A1HPGD

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 TSHR 1769/4885MAPT 1696/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885MAPT 1696/4885SMN1; SMN2 2831/4885

“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.