Sugi Predict

Sugi Predict / Compounds / SCHEMBL4055738

SCHEMBL4055738

SCHEMBL4055738

Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ ESR1 P03372 4/20 0.55
▸ ESR2 Q92731 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ APP P05067 1/20 0.33
▸ DRD1 P21728 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BBOX1 O75936 1/20 0.30
▸ EHMT2 Q96KQ7 1/20 0.30
▸ EHMT1 Q9H9B1 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
SCHEMBL211632 1.00 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL1823 1.00 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL5598857 1.00 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL30067172 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL30041418 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL7233266 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL6415873 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
Methane SCHEMBL28585682 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL2653270 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL29359632 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924292-A Preparation method of alkylated 2, 3-condensed quinazolinone compound 惠州学院 2024-04-26 — — CN claimed
CN-115894359-A C-N axis chiral 4-quinolinone compound and preparation and application thereof 中山大学 2023-04-04 — — CN claimed
CN-111825629-B Benzoxazole fluorescent probe, preparation method and application 江西理工大学 2022-10-21 — — CN claimed
CN-110698332-B Tetraphenyl ethylene alkyne phenyl alkoxy bridging alkoxy benzophenanthrene binary compound and preparation method thereof 桂林理工大学 2022-04-19 — — CN claimed
CN-111154498-B Preparation method of liquid crystal compound containing 1, 5-indan and difluoromethoxy bridge 西安瑞联新材料股份有限公司 2021-10-22 — — CN claimed
CN-106928076-B Lambda-type bromine-containing benzo [ b ] fluorenone compound with lyotropic discoloration and luminescence properties 江西师范大学 2020-11-06 — — CN claimed
CN-110105256-B Alpha-aminoketone-stilbene sulfonium salt compound and preparation method and application thereof 同济大学 2020-11-03 — — CN claimed
CN-111825629-A Benzoxazole fluorescent probe, preparation method and application 江西理工大学 2020-10-27 — — CN claimed
CN-111154498-A Preparation method of liquid crystal compound containing 1, 5-indan and difluoromethoxy bridge 西安瑞联新材料股份有限公司 2020-05-15 — — CN claimed
CN-110698332-A Tetraphenyl ethylene alkyne phenyl alkoxy bridging alkoxy benzophenanthrene binary compound and preparation method thereof 桂林理工大学 2020-01-17 — — CN claimed
CN-117924292-A Preparation method of alkylated 2, 3-condensed quinazolinone compound 惠州学院 2024-04-26 — — CN disclosed
CN-117024388-A Synthesis process of coumarin compound citreuntin 大理大学 2023-11-10 — — CN disclosed
CN-113264893-B Praseodymium ion fluorescent probe compound, and preparation method and application thereof 江西理工大学 2023-04-11 — — CN disclosed
CN-115894359-A C-N axis chiral 4-quinolinone compound and preparation and application thereof 中山大学 2023-04-04 — — CN disclosed
CN-107011136-B Synthesis method of trans-4-decenal 云南博淇科技有限公司 2023-03-03 — — CN disclosed
US-20090030248-A1 Ethynylphenylbiadamantane derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 — — US disclosed
EP-2014636-A1 Ethynylphenylbiadamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2009-01-14 — — EP disclosed
US-6730417-B2 POLYTRIAZINES, COPOLYMERS, BLOCK AND/OR GRAFT POLYMERS, USED AS CHARGE TRANSFER COMPOUNDS IN LIGHT EMITTING ELECTRONIC APPARATUS, HAVING IMPROVED DURABILITY AND UNIFORM LUMINESCENCE XEROX CORPORATION 2004-05-04 — — US disclosed
US-20030170490-A1 Organic electroluminescent (EL) devices XEROX CORPORATION 2003-09-11 — — US disclosed
WO-1999043285-A2 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1999-09-02 — — 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-20090030248-A1 Ethynylphenylbiadamantane derivatives CHRNA5, CHRNE, ADRA1D CYP3A4 356/4885TDP1 3089/4885ESR1 1510/4885
US-20030170490-A1 Organic electroluminescent (EL) devices MAL2, PUF60, ETV6 CYP3A4 2115/4885TDP1 2543/4885ESR1 109/4885

“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.