SCHEMBL1126652

SCHEMBL1126652

O=C1CCCCn2ccc(-c3ccccc3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
RECQL P46063 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
OPRK1 P41145 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 2/20 0.35
NAAA Q02083 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1127461 0.75 PTGS2 (0.42) TSHRALDH1A1TP53MAPK1ALOX5
SCHEMBL28633869 0.70 MAPT (0.50) TSHRRECQLALDH1A1MAPK1LMNA
Biphenyl SCHEMBL27725627 0.68 ALDH1A1 (0.50) ALDH1A1BRD4LMNAMEN1KMT2A
SCHEMBL23273185 0.67 PARP10 (0.54) BRD4LMNAMEN1KMT2A
SCHEMBL11192535 0.66 WDR5 (0.56) ALDH1A1TP53LMNAMEN1KMT2A
SCHEMBL14249484 0.65 ACHE (0.41) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7587251 0.63 PARP10 (0.54) BRD4LMNAMEN1KMT2A
SCHEMBL28923209 0.63 BRD4 (0.53) TSHRRECQLALDH1A1BRD4MEN1
SCHEMBL5538268 0.63 CYP2A6 (0.45) ALDH1A1BRD4LMNAMEN1KMT2A
SCHEMBL23782141 0.63 ALDH1A1 (0.41) ALDH1A1BRD4LMNAMEN1KMT2A

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 TSHR 1769/4885RECQL 1340/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885RECQL 1340/4885ALDH1A1 219/4885

“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.