SCHEMBL1126922

SCHEMBL1126922

COCn1cc(-c2ccccc2)cc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NR4A2 P43354 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LDHA P00338 1/20 0.41
EGFR P00533 1/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL1127225 0.88 CCNC (0.41) MAPTALDH1A1KDM4ENR4A2NPC1
SCHEMBL16588812 0.83 CCNC (0.38) MAPTALDH1A1KDM4ENR4A2NPC1
SCHEMBL1988726 0.83 CCNC (0.40) MAPTALDH1A1KDM4ENR4A2NPC1
SCHEMBL989437 0.80 CCNC (0.49) MAPTALDH1A1MAPK1RAB9ACCNC
SCHEMBL1254366 0.78 NR4A2 (0.54) MAPTALDH1A1KDM4ENR4A2NPC1
SCHEMBL16116241 0.76 CCNC (0.71) MAPTALDH1A1KDM4ENR4A2MAPK1
SCHEMBL1126536 0.74 CNR1 (0.46) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL19063920 0.74 MAPK8 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2CCNC
SCHEMBL1126777 0.74 COMT (0.38) ALDH1A1KDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL1127347 0.73 CNR1 (0.50) ALDH1A1NR4A2HPGDCYP2C19CCNC

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 MAPT 1696/4885ALDH1A1 219/4885KDM4E 1706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885ALDH1A1 219/4885KDM4E 1706/4885

“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.