SCHEMBL1127040

SCHEMBL1127040

CCCOCCn1cc(-c2ccccc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
TK2 O00142 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
TYR P14679 2/20 0.33
CNR1 P21554 1/20 0.33
TLR8 Q9NR97 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL1126844 0.89 KDM4E (0.46) ALDH1A1POLBHTTBRD4KDM4E
SCHEMBL1127469 0.86 BRD4 (0.38) ALDH1A1BRD4KDM4ERAB9AMAPK1
SCHEMBL1126929 0.84 TYR (0.46) ALDH1A1BRD4KDM4ETSHRTYR
SCHEMBL1126990 0.83 CNR1 (0.45) ALDH1A1BRD4KDM4ETSHRCNR1
SCHEMBL1127094 0.81 TYR (0.49) ALDH1A1BRD4KDM4ERAB9ATSHR
SCHEMBL1126944 0.81 KDM4E (0.41) BRD4KDM4ERAB9AMAPK1TYR
SCHEMBL1127015 0.80 RAB9A (0.49) ALDH1A1RAB9AMAPK1TSHRMAPT
SCHEMBL1127357 0.79 BRD4 (0.37) ALDH1A1BRD4KDM4ERAB9ACNR1
SCHEMBL1126608 0.78 ALDH1A1 (0.39) ALDH1A1POLBBRD4RAB9AMAPK1
SCHEMBL1127089 0.77 GLO1 (0.42) ALDH1A1BRD4RAB9AMAPK1CNR1

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 219/4885POLB 3827/4885HTT 776/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885POLB 3827/4885HTT 776/4885

“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.