SCHEMBL16677124

SCHEMBL16677124

c1ccc(-c2cc(-c3cccc(-c4cncnc4)c3)c3c(c2-c2cccc(-c4cncnc4)c2)-c2cccc4cccc-3c24)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
TNF P01375 1/20 0.37
PDK2 Q15119 3/20 0.36
BACE1 P56817 5/20 0.36
KCNH2 Q12809 4/20 0.36
CYP1B1 Q16678 1/20 0.35
KAT6A Q92794 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
JAK2 O60674 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL16670079 1.00 ATM (0.42) ATMTNFPDK2BACE1KCNH2
SCHEMBL16677154 0.96 ATM (0.38) ATMPDK2BACE1KCNH2CYP1B1
SCHEMBL2734065 0.92 ATM (0.43) ATMTNFPDK2BACE1KCNH2
SCHEMBL16670006 0.87 ALDH1A1 (0.41) ATMTNFALDH1A1TSHRMAPK1
SCHEMBL16658473 0.85 CYP11B1 (0.47) TNFPDK2ALDH1A1TSHRMAPK1
SCHEMBL16859291 0.84 ALDH1A1 (0.44) ATMTNFBACE1ALDH1A1TSHR
SCHEMBL16658474 0.82 IMPDH2 (0.42) TNFALDH1A1TSHRMAPK1HSD17B10
SCHEMBL18079812 0.81 BACE1 (0.36) ATMBACE1KCNH2KAT6APRKDC
SCHEMBL2158220 0.81 ALDH1A1 (0.47) ATMTNFBACE1ALDH1A1TSHR
SCHEMBL251545 0.81 CYP11B1 (0.48) TNFPDK2ALDH1A1TSHRMAPK1

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-9876174-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2018-01-23 US disclosed
US-9876174-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2018-01-23 US disclosed
US-9716233-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-25 US disclosed
US-9716233-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-25 US disclosed
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE LG CHEM, LTD. (KR) 2017-07-13 US disclosed
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE LG CHEM, LTD. (KR) 2017-07-13 US disclosed
US-20160268514-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-15 US disclosed
US-20160268514-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-15 US disclosed
WO-2015061074-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-30 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-20160268514-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE NR0B1, AR, NR0B2 ATM 2439/4885TNF 4721/4885PDK2 3733/4885
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE AR, CCND3, ESRRA ATM 1086/4885TNF 4725/4885PDK2 3652/4885

“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.