SCHEMBL17442971

SCHEMBL17442971

CCCCCN(CCCCC)c1cc2c(c3ccccc13)C(N(CCCCC)CCCCC)c1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.37
SLC22A3 O75751 1/20 0.37
GPR3 P46089 1/20 0.36
CRHR1 P34998 7/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.30

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
SCHEMBL1928348 0.82 SLC22A2 (0.40) SLC22A2SLC22A3GPR3CRHR1BCHE
SCHEMBL1930285 0.78 GPR3 (0.53) SLC22A2SLC22A3GPR3BCHEACHE
SCHEMBL28167099 0.73 GPR3 (0.55) SLC22A2SLC22A3GPR3BCHEACHE
SCHEMBL5182601 0.67 KCNH2 (0.49) CRHR1LMNA
SCHEMBL2920705 0.66 KCNH2 (0.40) CRHR1
SCHEMBL28289612 0.66 GPR3 (0.44) SLC22A2SLC22A3GPR3BCHEACHE
SCHEMBL9278064 0.65 KCNH2 (0.44)
SCHEMBL28058725 0.63 BCHE (0.39) SLC22A2SLC22A3GPR3CRHR1BCHE
SCHEMBL9798892 0.63 KCNH2 (0.47)
SCHEMBL10885181 0.63 KMT2A (0.49)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11527721-B2 Electroactive materials LG CHEM, LTD. 2022-12-13 US disclosed
US-11114621-B2 Electroactive materials LG CHEM, LTD. 2021-09-07 US disclosed
US-20190237673-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2019-08-01 US disclosed
US-20190181344-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2019-06-13 US disclosed
US-9954174-B2 Hole transport materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-04-24 US disclosed
US-9947872-B2 Hole transport materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-04-17 US disclosed
US-20170200893-A1 HOLE TRANSPORT MATERIALS LG CHEM, LTD. (KR) 2017-07-13 US disclosed
US-20170025609-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-01-26 US disclosed
US-20160329497-A1 HOLE TRANSPORT MATERIALS LG CHEM, LTD. (KR) 2016-11-10 US disclosed
WO-2016010746-A1 HOLE TRANSPORT MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-01-21 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 (4 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-20190181344-A1 ELECTROACTIVE MATERIALS NR5A1, AR, NR3C2 SLC22A2 1562/4885SLC22A3 1277/4885GPR3 234/4885
US-20170025609-A1 ELECTROACTIVE MATERIALS ARL1, AR, DERL1 SLC22A2 2276/4885SLC22A3 1836/4885GPR3 183/4885
US-11527721-B2 Electroactive materials NR5A1, AR, NR3C2 SLC22A2 1562/4885SLC22A3 1277/4885GPR3 234/4885
US-20170200893-A1 HOLE TRANSPORT MATERIALS DRD4, AHR, AR SLC22A2 911/4885SLC22A3 680/4885GPR3 327/4885

“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.