SCHEMBL1126872

SCHEMBL1126872

OCCn1ccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.39
IDH1 O75874 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1126768 0.76 HTR2A (0.41)
SCHEMBL12605596 0.75 ALDH1A1 (0.40) NCOA3IDH1ALDH1A1CYP17A1CYP11B1
SCHEMBL1126991 0.74 AKR1B1 (0.61) IDH1ALDH1A1KDM4ENPC1NR2F2
SCHEMBL28196405 0.73 CYP11B1 (0.53) CA12CA1CA2CA9CYP17A1
SCHEMBL16867183 0.73 IDH1 (0.33) IDH1KDM4ENPC1NR2F2RAB9A
SCHEMBL1126850 0.73 SLC18A3 (0.45) ALDH1A1KDM4ENPC1NR2F2RAB9A
Biphenyl SCHEMBL8030035 0.72 ALDH1A1 (0.60) CA1CA2IDH1ALDH1A1
SCHEMBL7656510 0.72 TAAR1 (0.42) ALDH1A1CYP11B1CYP11B2
SCHEMBL1126758 0.72 CA2 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL13692017 0.72 AKR1B1 (0.45) IDH1ALDH1A1KDM4ENPC1NR2F2

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 CA12 4164/4885CA1 3019/4885CA2 2579/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CA12 4164/4885CA1 3019/4885CA2 2579/4885

“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.