SCHEMBL22015893

SCHEMBL22015893

CCN(C)P(c1ccccc1)N(C)P(c1ccccc1)N(C)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
KCNN4 O15554 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.32
TP53 P04637 1/20 0.32
AOC3 Q16853 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL22022105 0.80 OPRM1 (0.42) TDP1KCNN4ALDH1A1OPRM1DRD3
SCHEMBL19130986 0.80 CHRNB2 (0.30) TDP1CYP3A4
SCHEMBL11727815 0.77 TDP1 (0.38) TDP1CYP3A4KCNN4TSHRALDH1A1
SCHEMBL17828674 0.76 PGR (0.30) ADRA2AKCNH2HTR2AHRH1
SCHEMBL2226790 0.75 CYP3A4 (0.39) TDP1CYP3A4KCNN4TSHRALDH1A1
SCHEMBL22022223 0.72 KCNH2 (0.41) TDP1OPRM1DRD3KCNH2
SCHEMBL4797776 0.71 TDP1 (0.45) TDP1CYP3A4KCNN4TSHRALDH1A1
SCHEMBL25041169 0.68 OPRM1 (0.42) TDP1ALDH1A1OPRM1DRD3KCNH2
SCHEMBL11728690 0.67 MEN1 (0.42) TDP1CYP3A4KCNN4TSHRALDH1A1
SCHEMBL11506410 0.67 TP53 (0.36) TDP1CYP3A4TP53HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247201-B2 Ligands for production of 1-hexene in chromium assisted ethylene oligomerization process SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2022-02-15 US disclosed
US-20220001369-A1 LIGANDS FOR PRODUCTION OF 1-OCTENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2022-01-06 US disclosed
US-20220001368-A1 LIGANDS FOR PRODUCTION OF 1-HEXENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2022-01-06 US disclosed
WO-2020100007-A1 LIGANDS FOR PRODUCTION OF 1-OCTENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-05-22 WO disclosed
WO-2020100010-A1 LIGANDS FOR PRODUCTION OF 1-HEXENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-05-22 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-11247201-B2 Ligands for production of 1-hexene in chromium assisted ethylene oligomerization process NCLN, PNN, PARN TDP1 958/4885CYP3A4 2758/4885KCNN4 298/4885
US-20220001368-A1 LIGANDS FOR PRODUCTION OF 1-HEXENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS NCLN, PNN, PARN TDP1 958/4885CYP3A4 2758/4885KCNN4 298/4885

“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.