SCHEMBL1126957

SCHEMBL1126957

CCOC(=O)Cn1cc(-c2ccccc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 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
SCHEMBL1126880 0.86 CNR2 (0.48) ALDH1A1TSHRPOLBKDM4EHTT
SCHEMBL1126803 0.86 ALDH1A1 (0.54) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL1126875 0.82 MEN1 (0.51) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1126839 0.82 ALDH1A1 (0.46) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL1126744 0.78 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHTTMAPT
SCHEMBL1126585 0.77 BRD4 (0.42) ALDH1A1TSHRL3MBTL1KDM4EMAPT
SCHEMBL1126926 0.77 SLC18A3 (0.43) ALDH1A1TSHRKDM4ESMN1; SMN2CYP1A2
SCHEMBL1127276 0.76 BRD4 (0.40) ALDH1A1TSHRKDM4ESMN1; SMN2GAA
SCHEMBL1126874 0.76 CA12 (0.52) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL14947704 0.75 NTSR1 (0.57) ALDH1A1TSHRPOLBL3MBTL1KDM4E

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 219/4885TSHR 1769/4885POLB 3827/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885TSHR 1769/4885POLB 3827/4885

“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.