SCHEMBL3011683

SCHEMBL3011683

[Rh]C1=CC=CC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
DRD1 P21728 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL18641305 0.78 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL4805147 0.78 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL17157063 0.78 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL28587099 0.78 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL10591398 0.78 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL7539350 0.78 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL1929940 0.78 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL5732165 0.77 CYP3A4 (0.46) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL2697376 0.76
Hydrochloric Acid SCHEMBL16728314 0.76 CYP3A4 (0.46) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2537851-B1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2015-06-10 EP disclosed
US-8975394-B2 Process for preparation of β-glycoside compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-10 US disclosed
EP-2537851-A1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 US disclosed
US-20120309958-A1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-06 US disclosed
US-20100197938-A1 Process for producing indole compoud NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
US-20070083053-A1 Process for producing indole compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-12 US disclosed
US-6531602-B2 Desilylation of a 2-pyridylsilane to form an alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-11 US disclosed
US-20020165397-A1 2-Pyridylsilane, processes for producing and using the same SUMITOMO CHEMICAL CO., LTD. 2002-11-07 US disclosed
US-6476278-B1 Processes for the preparation of alcohols JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2002-11-05 US disclosed
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
EP-1142856-A1 PROCESSES FOR THE PREPARATION OF ALCOHOLS Japan Science and Technology Corporation (JP) 2001-10-10 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
EP-1035125-A2 2-Pyridylsilane, processes for producing and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-13 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 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 (4 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-20020165397-A1 2-Pyridylsilane, processes for producing and using the same H1-0, RIOK2, H1-4 CYP3A4 178/4885TDP1 3175/4885ESR1 4502/4885
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A CYP3A4 259/4885TDP1 1496/4885ESR1 3123/4885
US-20100197938-A1 Process for producing indole compoud IDO1, IDO2, NOS2 CYP3A4 27/4885TDP1 3383/4885ESR1 4782/4885
US-20070083053-A1 Process for producing indole compound IDO2, IDO1, TDO2 CYP3A4 16/4885TDP1 3755/4885ESR1 4650/4885

“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.