SCHEMBL1126777

SCHEMBL1126777

COCn1cc(-c2ccccc2)cc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 4/20 0.38
HSD17B10 Q99714 4/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 2/20 0.35
GFER P55789 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 2/20 0.34
CYP2C19 P33261 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
CNR2 P34972 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
CYP1A2 P05177 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
SCHEMBL1126837 0.85 BRD4 (0.37) HSD17B10TSHRBRD4KDM4EGFER
SCHEMBL1127167 0.85 BRD4 (0.37) HSD17B10MAPK1BRD4KDM4ERAB9A
SCHEMBL1127225 0.76 CCNC (0.41) HSD17B10MAPK1BRD4KDM4ERAB9A
SCHEMBL1126922 0.74 MAPT (0.43) HSD17B10MAPK1TSHRKDM4ERAB9A
SCHEMBL1988726 0.72 CCNC (0.40) HSD17B10MAPK1BRD4KDM4ERAB9A
SCHEMBL16588812 0.72 CCNC (0.38) HSD17B10MAPK1BRD4KDM4ERAB9A
SCHEMBL1127170 0.70 CNR1 (0.43) MAPK1TSHRBRD4RAB9AALDH1A1
SCHEMBL1990116 0.68 BRD4 (0.46) HSD17B10BRD4KDM4EALDH1A1HPGD
SCHEMBL1127035 0.67 BRD4 (0.45) BRD4KDM4EALDH1A1HPGDCNR1
SCHEMBL1988099 0.66 BRD4 (0.37) HSD17B10BRD4KDM4ERAB9AALDH1A1

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 COMT 2812/4885HSD17B10 2503/4885MAPK1 1181/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 COMT 2812/4885HSD17B10 2503/4885MAPK1 1181/4885

“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.