SCHEMBL1126874

SCHEMBL1126874

CCOC(=O)Cn1ccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
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 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1126796 0.84 CNR2 (0.46) TSHRHTTSMN1; SMN2MEN1KMT2A
SCHEMBL13692017 0.79 AKR1B1 (0.45) TSHRHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1126991 0.79 AKR1B1 (0.61) TSHRHTTKMT2AALDH1A1KDM4E
SCHEMBL1126957 0.76 ALDH1A1 (0.50) TSHRHTTSMN1; SMN2MEN1KMT2A
Bromide SCHEMBL11623597 0.75 CA12 (0.49) CA12CA1CA2CA9TSHR
SCHEMBL3733259 0.75 CA12 (0.55) CA12CA1CA2CA9HTT
Biphenyl SCHEMBL7178640 0.75 SMN1; SMN2 (0.52) TSHRHTTSMN1; SMN2MEN1KMT2A
Succinic Acid Diethyl Ester SCHEMBL27940678 0.75 SMN1; SMN2 (0.62) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2824399 0.74 CA12 (0.56) CA12CA1CA2CA9HTT
SCHEMBL10439151 0.74 SMN1; SMN2 (0.55) TSHRHTTSMN1; SMN2MEN1KMT2A

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.