SCHEMBL196880

SCHEMBL196880

Cl[Ni]Cl.c1ccc(P(CCCCP(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
SCHEMBL6445751 1.00 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2
SCHEMBL6328 0.95 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2
SCHEMBL19031749 0.93 CYP3A4 (0.36) CYP3A4TDP1
Hydrochloric Acid SCHEMBL8876479 0.93 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL6442588 0.90 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2
SCHEMBL197144 0.90 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2
SCHEMBL29179 0.90 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2
SCHEMBL689027 0.87 TDP1 (0.43) CYP3A4TDP1ESR1ESR2
Hydrochloric Acid SCHEMBL9322645 0.87 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2
SCHEMBL7164452 0.87 TDP1 (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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158424-A1 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-05-16 US disclosed
EP-4361162-A2 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE Takasago International Corporation (JP) 2024-05-01 EP disclosed
CN-116135866-A Bridged carboxylic acid-containing difunctional phosphine ligand, preparation method and application thereof 中山大学 2023-05-19 CN disclosed
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
EP-2272851-B1 FLUORINATED BORONIC ACID ESTER COMPOUND AND PROCESS FOR PRODUCTION THEREOF UNIMATEC CO LTD (JP) 2014-02-26 EP disclosed
EP-2325188-B1 FLUORINE-CONTAINING BORONIC ACID ESTER COMPOUND AND METHOD FOR PRODUCING SAME UNIMATEC CO LTD (JP) 2013-06-05 EP disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
US-20100072581-A1 COMPOSITION FOR FILM FORMATION, INSULATING FILM, SEMICONDUCTOR DEVICE, AND PROCESS FOR PRODUCING THE SEMICONDUCTOR DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2010-03-25 US disclosed
US-5741438-A Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as an effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-21 US disclosed
US-5422038-A Ferroelectric liquid crystal material with sufficient spontaneous polarization, high speed response capability, wide temperature range SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-06 US disclosed
EP-0416946-B1 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-11-09 EP disclosed
EP-0395390-B1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-09-28 EP disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 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 (5 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-20240158424-A1 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE TDO2, SCO2, DUOX1 CYP3A4 611/4885TDP1 1033/4885ESR1 4231/4885
US-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CYP3A4 834/4885TDP1 4750/4885ESR1 3264/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CYP3A4 834/4885TDP1 4750/4885ESR1 3264/4885
US-20100072581-A1 COMPOSITION FOR FILM FORMATION, INSULATING FILM, SEMICONDUCTOR DEVICE, AND PROCESS FOR PRODUCING THE SEMICONDUCTOR DEVICE C1S, MCM3, MRPS23 CYP3A4 1415/4885TDP1 2327/4885ESR1 2184/4885
US-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR CYP3A4 1502/4885TDP1 4801/4885ESR1 606/4885

“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.