SCHEMBL15763552

SCHEMBL15763552

Clc1ccc2c(Br)c3ccccc3c(-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
DPP4 P27487 7/20 0.43
MAP2 P11137 3/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHA2 P29317 1/20 0.41
FLT3 P36888 1/20 0.41
FRK P42685 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL15763541 0.96 ESR1 (0.46) ESR1ESR2DPP4MAP2CA1
SCHEMBL29416110 0.91 ESR1 (0.53) ESR1ESR2DPP4MAP2CA1
SCHEMBL574096 0.91 ESR1 (0.53) ESR1ESR2DPP4MAP2CA1
SCHEMBL16837437 0.89 DPP4 (0.43) ESR1ESR2DPP4MAP2CA1
SCHEMBL16837443 0.88 ESR1 (0.42) ESR1ESR2DPP4MAP2CA1
SCHEMBL25625066 0.86 ESR1 (0.46) ESR1ESR2DPP4MAP2CA1
SCHEMBL25410041 0.85 DPP4 (0.48) ESR1ESR2DPP4MAP2CA1
SCHEMBL28190539 0.83 MAP2 (0.51) ESR1ESR2DPP4MAP2CA1
SCHEMBL2086092 0.83 CYP1A2 (0.46) ESR1ESR2CA1CA2KDM4E
SCHEMBL30716102 0.83 CYP1A2 (0.46) ESR1ESR2CA1CA2KDM4E

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-9818951-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2017-11-14 US disclosed
US-9818951-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2017-11-14 US disclosed
US-20160329500-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM LTD. (KR) 2016-11-10 US disclosed
US-20160329500-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM LTD. (KR) 2016-11-10 US disclosed
US-9484539-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2016-11-01 US disclosed
US-9484539-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2016-11-01 US disclosed
EP-2876104-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2015-05-27 EP disclosed
US-20140151670-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2014-06-05 US disclosed
US-20140151670-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2014-06-05 US 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 (1 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-20160329500-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME PIEZO1, EED, ETV6 ESR1 19/4885ESR2 197/4885DPP4 3451/4885

“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.