SCHEMBL6328

SCHEMBL6328

Cl[Ni]Cl.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
Hydrochloric Acid SCHEMBL8876479 0.98 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL19031749 0.98 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL196880 0.95 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2
SCHEMBL6445751 0.95 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2
SCHEMBL197144 0.90 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2
SCHEMBL6442588 0.90 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2
SCHEMBL35092 0.90 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2
SCHEMBL6910521 0.88 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2
SCHEMBL4339144 0.88 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2
SCHEMBL954340 0.87 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2

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 1525 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119822934-A Preparation method of p-tert-butoxystyrene 上海八亿时空先进材料有限公司 2025-04-15 CN claimed
CN-119241438-A Fluoconazole fungus Process for the preparation of amides 浙江南郊化学有限公司 2025-01-03 CN claimed
CN-118702899-A Crosslinkable thienyl polymer, preparation method thereof and crosslinked film 东华理工大学 2024-09-27 CN claimed
CN-118516856-A Transparent conductive shielding film with high flexibility and preparation method thereof 深圳市海普睿能科技有限公司 2024-08-20 CN claimed
CN-116365576-B Converter control system and method 南京南瑞继保电气有限公司 2024-08-13 CN claimed
CN-118165041-A Preparation and anti-tumor application of full-active nano-drug based on ruthenium complex 重庆医科大学 2024-06-11 CN claimed
CN-114790179-B Sulfur-containing 2,4, 5-trisubstituted oxazole compound and preparation method and application thereof 山东理工大学 2024-05-07 CN claimed
CN-117447394-A Synthesis process of 2-isopropyl-4-methylpyridine-3-amine 苏利制药科技江阴有限公司 2024-01-26 CN claimed
CN-117024354-B Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-12-08 CN claimed
CN-114213204-B Method for synthesizing aryl nitrile compound from tert-butyl isonitrile 浙江工业大学 2023-12-05 CN 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
US-7205414-B2 Process for the Kumada coupling reaction HONEYWELL INTERNATIONAL INC. (US) 2007-04-17 US claimed
WO-2006076156-A1 HALOGENATED THIOPHENE MONOMER FOR THE PREPARATION OF REGIOREGULAR POLYTHIOPHENES HONEYWELL INTERNATIONAL INC. (US) 2006-07-20 WO claimed
WO-2006076150-A1 IMPROVED PROCESS FOR THE KUMADA COUPLING REACTION HONEYWELL INTERNATIONAL INC. (US) 2006-07-20 WO claimed
US-20060155134-A1 Process for the kumada coupling reaction HONEYWELL INTERNATIONAL INC. 2006-07-13 US claimed
US-20060155105-A1 Halogenated thiophene monomer for the preparation of regioregular polythiophenes HONEYWELL INTERNATIONAL INC. 2006-07-13 US claimed
US-20040236115-A1 Synthesis of cyclopentadiene derivatives EQUISTAR CHEMICALS, LP 2004-11-25 US claimed
EP-1387827-A2 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES Basell Polyolefine GmbH (DE) 2004-02-11 EP claimed
WO-2002092564-A2 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2002-11-21 WO claimed
US-5753757-A Electroluminescent polymer compositions and processes thereof XEROX CORPORATION (US) 1998-05-19 US 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-20040236115-A1 Synthesis of cyclopentadiene derivatives CYCS, DHPS, CBR1 CYP3A4 10/4885TDP1 4184/4885ESR1 4289/4885
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-20060155134-A1 Process for the kumada coupling reaction KMT5A, KMT5C, KCNT1 CYP3A4 116/4885TDP1 2054/4885ESR1 3928/4885

“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.