SCHEMBL1305213

SCHEMBL1305213

BP(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HTR1D P28221 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
SCHEMBL93161 0.76 GABRA1 (0.69) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL19998396 0.76 GABRA1 (0.48) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL2225542 0.74 GABRA1 (0.46) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL1304647 0.74 TSHR (0.48) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL16694547 0.74 GABRA1 (0.46) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL1305235 0.74 GABRA1 (0.46) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL10394690 0.73 GABRA1 (0.65) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL10415675 0.73 GABRA1 (0.65) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL29670257 0.72 GABRA1 (0.44) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL17827239 0.69 GABRA1 (0.52) GABRA1GABRB2POLBKDM4EGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
US-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
US-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS SPERA PHARMA, INC. (JP) 2010-05-20 US disclosed
US-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS SPERA PHARMA, INC. (JP) 2010-05-20 US disclosed
US-7678942-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-16 US disclosed
US-7678942-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-16 US disclosed
EP-1452537-B1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS TAKEDA PHARMACEUTICAL (JP) 2009-08-05 EP disclosed
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease SPERA PHARMA, INC. (JP) 2007-07-12 US disclosed
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease SPERA PHARMA, INC. (JP) 2007-07-12 US disclosed
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease SPERA PHARMA, INC. (JP) 2007-07-12 US disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process SPERA PHARMA, INC. (JP) 2005-02-03 US disclosed
EP-1452537-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS Takeda Chemical Industries, Ltd. (JP) 2004-09-01 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 (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-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS H1-10, ITPA, RER1 GABRA1 4733/4885GABRB2 4630/4885POLB 508/4885
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease BACE1, H1-10, PRMT1 GABRA1 2918/4885GABRB2 2661/4885POLB 712/4885
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process H1-10, ITPA, RER1 GABRA1 4743/4885GABRB2 4646/4885POLB 495/4885

“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.