Sugi Predict

Sugi Predict / Compounds / SCHEMBL3454716

SCHEMBL3454716

SCHEMBL3454716

O=S(=O)(Oc1cccc2c3ccccc3c3ccccc3c12)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.38
▸ DRD3 P35462 8/20 0.38
▸ DRD4 P21917 6/20 0.38
▸ DRD1 P21728 4/20 0.38
▸ DRD5 P21918 4/20 0.38
▸ HTR1D P28221 2/20 0.37
▸ HTR5A P47898 1/20 0.36
▸ FABP1 P07148 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ELANE P08246 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
SCHEMBL16590524 0.89 DRD2 (0.35) DRD2DRD3DRD4DRD1DRD5
SCHEMBL24628085 0.85 MAOA (0.38) DRD2DRD3DRD4DRD1DRD5
SCHEMBL29706003 0.85 MEN1 (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL203899 0.85 MEN1 (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2620741 0.84 CNR2 (0.38) DRD2DRD3DRD4DRD1DRD5
SCHEMBL17080387 0.83 FABP1 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL24627968 0.83 CDC14B (0.38) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1712875 0.82 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL18795081 0.82 CDC14B (0.46) DRD2DRD3DRD4DRD1DRD5
SCHEMBL28614424 0.82 CA2 (0.37) ELANE

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072417-A Non-centrosymmetric nano graphene molecule based on triphenylene and preparation method thereof 哈尔滨工业大学 2021-07-06 — — CN claimed
CN-111662196-A Triphenylene discotic liquid crystal compound and preparation method thereof 四川师范大学 2020-09-15 — — CN claimed
CN-112409374-B Preparation method of rigid core direct-connected graphene-like benzophenanthrene discotic liquid crystal and mesomorphism 四川师范大学 2022-10-14 — — CN disclosed
CN-110105160-B Preparation method based on triphenylene alkyne type precursor and polycyclic aromatic hydrocarbon derivative thereof 哈尔滨工业大学 2022-09-16 — — CN disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 — — US disclosed
CN-107531641-B Material for transporting electrons, organic electroluminescent element, and display device or lighting device 爱思开新材料捷恩智株式会社 2022-03-15 — — CN disclosed
CN-113072417-A Non-centrosymmetric nano graphene molecule based on triphenylene and preparation method thereof 哈尔滨工业大学 2021-07-06 — — CN disclosed
CN-112409374-A Preparation method of rigid core direct-connected graphene-like benzophenanthrene discotic liquid crystal and mesomorphism 四川师范大学 2021-02-26 — — CN disclosed
CN-112409323-A Preparation method and mesomorphism of graphene-like conjugated heterocyclic benzophenanthrene discotic liquid crystal 四川师范大学 2021-02-26 — — CN disclosed
CN-111825598-A Carbazole-containing discotic liquid crystal compound and preparation method thereof 四川师范大学 2020-10-27 — — CN disclosed
CN-111662196-A Triphenylene discotic liquid crystal compound and preparation method thereof 四川师范大学 2020-09-15 — — CN disclosed
EP-2213641-B1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO (JP) 2018-05-16 — — EP disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20140291638-A1 HOST MATERIALS FOR OLED APPLICATION UNIVERSAL DISPLAY CORPORATION (US) 2014-10-02 — — US disclosed
US-20140291638-A1 HOST MATERIALS FOR OLED APPLICATION UNIVERSAL DISPLAY CORPORATION (US) 2014-10-02 — — US disclosed
US-20140291638-A1 HOST MATERIALS FOR OLED APPLICATION UNIVERSAL DISPLAY CORPORATION (US) 2014-10-02 — — US disclosed
US-20140061628-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-03-06 — — US disclosed
US-8623520-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-07 — — US disclosed
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 — — US disclosed
EP-2213641-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-04 — — 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 (3 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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, H1-10, H1-0 DRD2 1903/4885DRD3 1841/4885DRD4 1807/4885
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT DRD2 3274/4885DRD3 3352/4885DRD4 2335/4885
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NRAS, RSU1, RAP1A DRD2 2038/4885DRD3 1389/4885DRD4 1851/4885

“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.