SCHEMBL1120987

SCHEMBL1120987

c1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
DRD1 P21728 2/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
CDC25B P30305 1/20 0.30
KMT2A Q03164 1/20 0.30
TOP1 P11387 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
Water SCHEMBL1131752 0.97 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL30350108 0.97 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2DRD1
Bromide SCHEMBL8660152 0.97 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2DRD1
Water SCHEMBL1131329 0.97 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL31059891 0.97 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL28427105 0.89 TDP1 (0.46) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL29635182 0.87 TDP1 (0.50) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL4004840 0.87 TDP1 (0.50) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL2322069 0.87 ALDH1A1 (0.46) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL4000406 0.87 CYP3A4 (0.44) CYP3A4TDP1ESR1ESR2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026086030-A1 METHOD FOR CONSTRUCTING CHIRALITY OF PYRAN RING IN ORFORGLIPRON BY MEANS OF ENZYMATIC CATALYSIS 成都安迈博生物医药有限公司 2026-04-30 WO claimed
US-20250333580-A1 RESIN COMPOSITION AND PRODUCTS THEREOF ELITE ELECTRONIC MAT ZHONGSHAN CO LTD (CN) 2025-10-30 US claimed
EP-4594306-A1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE PRODUCTION OF REMIBRUTINIB Novartis AG (CH) 2025-08-06 EP claimed
CN-120136818-A Preparation method of optically active beta-butyrolactone 万华化学集团股份有限公司 2025-06-13 CN claimed
CN-119798102-B Preparation method and application of pure organic high-resolution glass scintillator 厦门大学 2025-06-13 CN claimed
CN-119998265-A Synthetic methods and intermediates for the production of rebaudinib 诺华股份有限公司 2025-05-13 CN claimed
CN-119798102-A Preparation method and application of pure organic high-resolution glass scintillator 厦门大学 2025-04-11 CN claimed
CN-119462638-A Preparation method of CDK 4/6 inhibitor 上海皓元生物医药科技有限公司 2025-02-18 CN claimed
CN-119371674-A Preparation method of donor-acceptor type metal organic framework photocatalyst and application of photocatalytic amine oxide/thioether 长沙理工大学 2025-01-28 CN claimed
CN-119372270-A Method for constructing Orforglipron pyran ring chirality through enzyme catalysis 成都安迈博生物医药有限公司 2025-01-28 CN claimed
US-20070129392-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. 2007-06-07 US claimed
US-20070129413-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives NOVARTIS PHARMACEUTICALS CORPORATION 2007-06-07 US claimed
EP-1792887-A1 Process for the homogeneous hydrogenation of ketones using ruthenium catalytic systems LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-06-06 EP claimed
US-20070078189-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS (US) 2007-04-05 US claimed
EP-1757571-A1 Process for the homogeneous hydrogenation of ketones using ruthenium catalytic systems. LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
EP-1716140-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL)-BIPHENYL DERIVATIVES Novartis AG (CH) 2006-11-02 EP claimed
WO-2005108338-A1 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-11-17 WO claimed
WO-2005075462-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL)-BIPHENYL DERIVATIVES NOVARTIS AG (CH) 2005-08-18 WO claimed
EP-1341798-A1 CHIRAL DIPHOSPHINES AND THEIR METAL COMPLEXES PPG-Sipsy (FR) 2003-09-10 EP claimed
WO-2002040492-A1 CHIRAL DIPHOSPHINES AND THEIR METAL COMPLEXES PPG-SIPSY (FR) 2002-05-23 WO claimed

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-20070129413-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives AGTR1, AGTR2, AGT CYP3A4 769/4885TDP1 4366/4885ESR1 1356/4885
US-20070078189-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders GPR119, IGF1R, CCNE2 CYP3A4 2700/4885TDP1 3610/4885ESR1 784/4885
US-20070129392-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders IGF1R, INSR, BRCA1 CYP3A4 3236/4885TDP1 3636/4885ESR1 408/4885

“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.