SCHEMBL29354465

SCHEMBL29354465

CN(P(Cl)c1ccccc1)P(Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KCNN4 O15554 1/20 0.35
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
MAPT P10636 1/20 0.32
AOC3 Q16853 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 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
SCHEMBL11390900 0.86 TDP1 (0.41) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL29398719 0.75 TAAR1 (0.42) TSHRALDH1A1MEN1HTTKMT2A
SCHEMBL14088328 0.75 CYP3A4 (0.36) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL5062802 0.75 TDP1 (0.36) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL322574 0.74 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL2153928 0.73
Trimethylammonium SCHEMBL8734959 0.71 TDP1 (0.75) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL9508241 0.71 CYP3A4 (0.47) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL230096 0.69 TDP1 (0.53) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL11664569 0.69 TDP1 (0.53) TDP1CYP3A4ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12440830-B2 Ligands for production of 1-octene in chromium assisted ethylene oligomerization process SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2025-10-14 US disclosed
US-11925927-B2 Ligands for production of 1-octene in chromium assisted ethylene oligomerization process SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2024-03-12 US disclosed
EP-3880360-B1 LIGANDS FOR PRODUCTION OF 1-OCTENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS SABIC GLOBAL TECHNOLOGIES BV (NL) 2023-04-05 EP disclosed
US-20230053092-A1 Ligands for Production of 1-Octene in Chromium Assisted Ethylene Oligomerization Process SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2023-02-16 US disclosed
US-11511265-B2 Ligands for production of 1-octene in chromium assisted ethylene oligomerization process SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2022-11-29 US disclosed
US-20220152602-A1 LIGANDS FOR PRODUCTION OF 1-OCTENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2022-05-19 US disclosed
EP-3941892-A1 LIGANDS FOR PRODUCTION OF 1-OCTENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS SABIC Global Technologies B.V. (NL) 2022-01-26 EP 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-12440830-B2 Ligands for production of 1-octene in chromium assisted ethylene oligomerization process AP1M1, OR10J3, OXER1 TDP1 663/4885CYP3A4 1588/4885ESR1 38/4885
US-20220152602-A1 LIGANDS FOR PRODUCTION OF 1-OCTENE IN CHROMIUM ASSISTED ETHYLENE OLIGOMERIZATION PROCESS AP1M1, OR10J3, OXER1 TDP1 663/4885CYP3A4 1588/4885ESR1 38/4885

“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.