SCHEMBL1126546

SCHEMBL1126546

CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1CCOC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
MAPK1 P28482 3/20 0.64
TSHR P16473 2/20 0.55
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
XBP1 P17861 1/20 0.47

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
SCHEMBL8203697 0.84 HPGD (0.59) HPGDMAPK1TSHRALDH1A1LMNA
SCHEMBL26088749 0.78 HPGD (0.56) HPGDMAPK1TSHRALDH1A1LMNA
SCHEMBL26088689 0.76 MAPK1 (0.61) HPGDMAPK1TSHRALDH1A1LMNA
SCHEMBL69310 0.75 HPGD (1.00) HPGDMAPK1TSHRALDH1A1LMNA
SCHEMBL22137286 0.75 ALDH1A1 (0.55) HPGDMAPK1TSHRALDH1A1LMNA
SCHEMBL10618518 0.75 MAPK1 (0.75) HPGDMAPK1TSHRALDH1A1LMNA
SCHEMBL11646686 0.74 CYP1A2 (0.66) HPGDMAPK1TSHRALDH1A1LMNA
SCHEMBL7480180 0.74 HPGD (0.51) HPGDMAPK1TSHRALDH1A1CYP1A2
SCHEMBL22137275 0.74 ALDH1A1 (0.54) HPGDMAPK1TSHRALDH1A1LMNA
SCHEMBL8204552 0.73 BRD4 (0.62) HPGDMAPK1TSHRALDH1A1LMNA

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 16 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
EP-0591355-B1 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY CYTOPHARM INC (US) 2000-03-08 EP disclosed
US-5409900-A Treatment of cancer tumors, psoriasis; purification of blood CYTOPHARM, INC. (US) 1995-04-25 US disclosed
EP-0591355-A4 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY. CYTOPHARM INC (US) 1995-01-18 EP disclosed
EP-0591355-A1 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY CYTOPHARM, INC. (US) 1994-04-13 EP disclosed
US-5262401-A Porphyrins as antitumor agents and psoriasis treatment CYTOPHARM, INC. (US) 1993-11-16 US disclosed
US-5179120-A Antitumor agents or psoriasis CYTOPHARM, INC. (US) 1993-01-12 US disclosed
WO-1993000087-A1 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY CYTOPHARM, INC. (US) 1993-01-07 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 HPGD 2971/4885MAPK1 1181/4885TSHR 1769/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HPGD 2971/4885MAPK1 1181/4885TSHR 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.